 | | N90 | | Name: | 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine | | Formula: | C26 H28 N2 | | SMILES: | c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1 | | InChi: | InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ | | Synonyms: | Cinnarizine | | Definition date: | 2022-03-28 | | Last modified: | 2022-05-06 | | Release date: | 2022-05-11 | | Identifier: | 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine |
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 | | 05J | | Name: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | Formula: | C29 H34 N8 O2 | | SMILES: | CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1 | | InChi: | InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1 | | Definition date: | 2021-06-02 | | Last modified: | 2022-04-07 | | Release date: | 2021-09-01 | | Identifier: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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 | | ZJG | | Name: | cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H48 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C37H48N6O9S/c1-22-32(39-29-18-25(50-3)14-15-27(29)38-22)51-26-19-30-31(44)41-37(34(46)42-53(48,49)36(2)16-17-36)20-23(37)10-7-5-4-6-8-13-28(33(45)43(30)21-26)40-35(47)52-24-11-9-12-24/h7,10,14-15,18,23-24,26,28,30H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,40,47)(H,41,44)(H,42,46)/b10-7-/t23-,26-,28+,30+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZJJ | | Name: | 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H46 F2 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC(F)(F)C3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C37H46F2N6O9S/c1-21-31(41-28-15-23(52-3)11-12-26(28)40-21)53-24-16-29-30(46)43-37(33(48)44-55(50,51)35(2)13-14-35)17-22(37)9-7-5-4-6-8-10-27(32(47)45(29)20-24)42-34(49)54-25-18-36(38,39)19-25/h7,9,11-12,15,22,24-25,27,29H,4-6,8,10,13-14,16-20H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t22-,24-,27+,29+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZKA | | Name: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H50 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-18-25(51-4)12-13-27(29)39-23)53-26-19-30-31(45)42-38(34(47)43-54(49,50)37(3)16-17-37)20-24(38)10-8-6-5-7-9-11-28(33(46)44(30)21-26)41-35(48)52-22-36(2)14-15-36/h8,10,12-13,18,24,26,28,30H,5-7,9,11,14-17,19-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b10-8-/t24-,26-,28+,30+,38-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZKJ | | Name: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C36 H45 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22-,24-,26+,28+,35-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | J0U | | Name: | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one | | Formula: | C26 H30 O6 | | SMILES: | COc1cc(O)c(C[CH](CC=C(C)C)C(C)=C)c2O[CH](CC(=O)c12)c3ccc(O)cc3O | | InChi: | InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1 | | Synonyms: | Kurarinone | | Definition date: | 2021-03-17 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | (2~{S})-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2~{R})-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one |
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 | | ZJM | | Name: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H49 F N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCCC3F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H49FN6O9S/c1-22-33(41-29-18-24(52-3)14-15-27(29)40-22)53-25-19-30-32(46)43-38(35(48)44-55(50,51)37(2)16-17-37)20-23(38)10-7-5-4-6-8-12-28(34(47)45(30)21-25)42-36(49)54-31-13-9-11-26(31)39/h7,10,14-15,18,23,25-26,28,30-31H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b10-7-/t23-,25-,26-,28+,30+,31-,38-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZJV | | Name: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C36 H45 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22+,24+,26-,28-,35+/m0/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZJY | | Name: | [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H47 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(CC3)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-17-24(54-3)11-12-26(28)42-22)56-25-18-29-30(48)45-37(33(50)46-57(52,53)35(2)13-14-35)19-23(37)9-7-5-4-6-8-10-27(32(49)47(29)20-25)44-34(51)55-21-36(15-16-36)38(39,40)41/h7,9,11-12,17,23,25,27,29H,4-6,8,10,13-16,18-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b9-7-/t23-,25-,27+,29+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZK4 | | Name: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C40 H51 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C3CCCC3)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C40H51F3N6O9S/c1-23-34(45-30-19-26(56-3)15-16-28(30)44-23)57-27-20-31-33(50)47-39(36(52)48-59(54,55)38(2)17-18-38)21-25(39)13-7-5-4-6-8-14-29(35(51)49(31)22-27)46-37(53)58-32(40(41,42)43)24-11-9-10-12-24/h7,13,15-16,19,24-25,27,29,31-32H,4-6,8-12,14,17-18,20-22H2,1-3H3,(H,46,53)(H,47,50)(H,48,52)/b13-7-/t25-,27-,29+,31+,32-,39-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZK7 | | Name: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H47 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CCC3)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-18-24(54-3)12-13-26(28)42-22)55-25-19-29-30(48)45-37(33(50)46-57(52,53)35(2)16-17-35)20-23(37)10-7-5-4-6-8-11-27(32(49)47(29)21-25)44-34(51)56-36(14-9-15-36)38(39,40)41/h7,10,12-13,18,23,25,27,29H,4-6,8-9,11,14-17,19-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b10-7-/t23-,25-,27+,29+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-04 | | Release date: | 2022-03-09 | | Identifier: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | 9ID | | Name: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide | | Formula: | C22 H23 N7 O2 | | SMILES: | Cn1cc(Nc2ncc(nc2C(N)=O)C2=CCCC(NC(=O)c3ccccc3)C2)cn1 | | InChi: | InChI=1S/C22H23N7O2/c1-29-13-17(11-25-29)26-21-19(20(23)30)28-18(12-24-21)15-8-5-9-16(10-15)27-22(31)14-6-3-2-4-7-14/h2-4,6-8,11-13,16H,5,9-10H2,1H3,(H2,23,30)(H,24,26)(H,27,31)/t16-/m1/s1 | | Definition date: | 2021-10-15 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide |
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 | | F2D | | Name: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one | | Formula: | C19 H25 N O | | SMILES: | O=C1c2ccccc2NC(CC=CCCCCCC)=C1C | | InChi: | InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+ | | Definition date: | 2021-12-14 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one |
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 | | HI9 | | Name: | (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol | | Formula: | C17 H23 N5 O3 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ncccc1C=CCO | | InChi: | InChI=1S/C17H23N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3-4,6-8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol |
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 | | TAW | | Name: | Futibatinib | | Formula: | C22 H22 N6 O3 | | SMILES: | COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O)C=C)c4ncnc(N)c24 | | InChi: | InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m1/s1 | | Synonyms: | TAS-120 | | Definition date: | 2020-10-02 | | Last modified: | 2022-02-02 | | Release date: | 2021-12-22 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one |
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 | | WOG | | Name: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate | | Formula: | C8 H17 O4 P | | SMILES: | OP(O)(=O)OCC=C(/C)CCCC | | InChi: | InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+ | | Definition date: | 2021-02-09 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
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 | | Y7D | | Name: | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate | | Formula: | C8 H18 O7 P2 | | SMILES: | O=P(O)(O)OP(O)(=O)OCC=C(C)CCCC | | InChi: | InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6- | | Definition date: | 2021-02-09 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate |
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 | | 0XI | | Name: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate | | Formula: | C10 H13 O4 P | | SMILES: | C/C(=CCOP(=O)(O)O)c1ccccc1 | | InChi: | InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+ | | Definition date: | 2021-06-18 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate |
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 | | A1I | | Name: | N-(cyclopent-3-ene-1-carbonyl)-L-histidine | | Formula: | C12 H15 N3 O3 | | SMILES: | O=C(O)C(NC(=O)C1CC=CC1)Cc1c[NH]cn1 | | InChi: | InChI=1S/C12H15N3O3/c16-11(8-3-1-2-4-8)15-10(12(17)18)5-9-6-13-7-14-9/h1-2,6-8,10H,3-5H2,(H,13,14)(H,15,16)(H,17,18)/t10-/m0/s1 | | Definition date: | 2021-11-04 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | N-(cyclopent-3-ene-1-carbonyl)-L-histidine |
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 | | GZX | | Name: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione | | Formula: | C27 H42 N2 O5 S | | SMILES: | C[CH]1CCC[C]2(C)O[CH]2C[CH](NC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3 | | InChi: | InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 | | Synonyms: | Ixabepilone | | Definition date: | 2020-10-19 | | Last modified: | 2021-11-09 | | Release date: | 2021-03-24 | | Identifier: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione |
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 | | SK5 | | Name: | (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one | | Formula: | C16 H11 F3 O | | SMILES: | FC(F)(F)c1ccc(cc1)C(=O)C=Cc2ccccc2 | | InChi: | InChI=1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+ | | Synonyms: | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one | | Definition date: | 2020-11-23 | | Last modified: | 2021-10-29 | | Release date: | 2021-11-03 | | Identifier: | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
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 | | SKB | | Name: | (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one | | Formula: | C16 H11 F3 O | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccccc2 | | InChi: | InChI=1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+ | | Synonyms: | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one | | Definition date: | 2020-11-23 | | Last modified: | 2021-10-29 | | Release date: | 2021-11-03 | | Identifier: | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
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 | | RDH | | Name: | 3-[(1-Carboxyvinyl)oxy]benzoic acid | | Formula: | C10 H8 O5 | | SMILES: | OC(=O)C(=C)Oc1cccc(c1)C(O)=O | | InChi: | InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14) | | Synonyms: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid | | Definition date: | 2020-09-25 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid |
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 | | ZLY | | Name: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid | | Formula: | C38 H44 N4 O6 | | SMILES: | O=C(O)Cc1ccc(cc1)C1CC(=O)NC2(CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3ccccc32)CC=C1 | | InChi: | InChI=1S/C38H44N4O6/c39-33(43)23-32-36(47)40-24-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)21-35(45)46)22-34(44)42-38(37(48)41-32)18-4-1-5-19-38/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,39,43)(H,40,47)(H,41,48)(H,42,44)(H,45,46)/b11-6+/t26-,29-,32-/m0/s1 | | Definition date: | 2021-05-06 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid |
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