![LUB LUB](https://data.pdbj.org/pdbjplus/data/cc/svg/LUB.svg) | LUB | Name: | 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid | Formula: | C9 H14 O4 | SMILES: | CCC[CH]1OCC(=C1C(O)=O)CO | InChi: | InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 | Definition date: | 2019-09-06 | Last modified: | 2022-03-16 | Release date: | 2020-09-30 | Identifier: | (2~{S})-4-(hydroxymethyl)-2-propyl-2,5-dihydrofuran-3-carboxylic acid |
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![UR5 UR5](https://data.pdbj.org/pdbjplus/data/cc/svg/UR5.svg) | UR5 | Name: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid | Formula: | C6 H8 N2 O4 | SMILES: | OC(=O)[CH]1NC[CH]2[CH]1ONC2=O | InChi: | InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1 | Synonyms: | (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid | Definition date: | 2021-03-09 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
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![UR8 UR8](https://data.pdbj.org/pdbjplus/data/cc/svg/UR8.svg) | UR8 | Name: | (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid | Formula: | C6 H8 N2 O4 | SMILES: | OC(=O)[CH]1NC[CH]2[CH]1ONC2=O | InChi: | InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1 | Synonyms: | (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid | Definition date: | 2021-03-09 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
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![URH URH](https://data.pdbj.org/pdbjplus/data/cc/svg/URH.svg) | URH | Name: | ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide | Formula: | C21 H18 N2 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3 | InChi: | InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27) | Definition date: | 2021-03-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide |
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![ZJG ZJG](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJG.svg) | 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 ZJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJJ.svg) | 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 ZKA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKA.svg) | 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 ZKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKJ.svg) | 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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![YJJ YJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YJJ.svg) | YJJ | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C26 H24 Cl N7 O4 | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12 | InChi: | InChI=1S/C26H24ClN7O4/c1-15-7-16(8-17(10-28)24(15)36)18-12-34(25-23(18)26(37)32(2)14-30-25)13-22(35)31-20-9-21(29-11-19(20)27)33-3-5-38-6-4-33/h7-9,11-12,14,36H,3-6,13H2,1-2H3,(H,29,31,35) | Definition date: | 2021-03-11 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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![YJS YJS](https://data.pdbj.org/pdbjplus/data/cc/svg/YJS.svg) | YJS | Name: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide | Formula: | C26 H25 Cl2 N7 O5 | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2N=CN(C)C(=O)c12 | InChi: | InChI=1S/C26H25Cl2N7O5/c1-13-11-40-4-3-35(13)20-7-19(18(28)8-30-20)32-21(36)10-34-9-16(22-25(34)31-12-33(2)26(22)39)14-5-15(24(29)38)23(37)17(27)6-14/h5-9,12-13,37H,3-4,10-11H2,1-2H3,(H2,29,38)(H,30,32,36)/t13-/m0/s1 | Definition date: | 2021-03-11 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide |
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![Z07 Z07](https://data.pdbj.org/pdbjplus/data/cc/svg/Z07.svg) | Z07 | Name: | 4-(trifluoromethyl)-1,3-benzothiazol-2-amine | Formula: | C8 H5 F3 N2 S | SMILES: | FC(F)(F)c1cccc2sc(N)nc12 | InChi: | InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13) | Definition date: | 2021-04-07 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-(trifluoromethyl)-1,3-benzothiazol-2-amine |
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![VCH VCH](https://data.pdbj.org/pdbjplus/data/cc/svg/VCH.svg) | VCH | Name: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide | Formula: | C21 H18 F6 N2 O5 S | SMILES: | CC(=O)N1Cc2cc(ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](C)(=O)=O | InChi: | InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1 | Definition date: | 2021-05-05 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide |
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![VCK VCK](https://data.pdbj.org/pdbjplus/data/cc/svg/VCK.svg) | VCK | Name: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide | Formula: | C22 H22 F6 N2 O5 S | SMILES: | CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C22H22F6N2O5S/c1-3-36(34,35)16-10-4-13(5-11-16)17(12-18(31)29-2)19(32)30-15-8-6-14(7-9-15)20(33,21(23,24)25)22(26,27)28/h4-11,17,33H,3,12H2,1-2H3,(H,29,31)(H,30,32)/t17-/m1/s1 | Definition date: | 2021-05-05 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide |
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![YNA YNA](https://data.pdbj.org/pdbjplus/data/cc/svg/YNA.svg) | YNA | Name: | N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C21 H15 Cl N6 O3 | SMILES: | Clc1cnccc1NC(=O)Cn1cc(c2c1N=CN(C)C2=O)c1ccc(O)c(C#N)c1 | InChi: | InChI=1S/C21H15ClN6O3/c1-27-11-25-20-19(21(27)31)14(12-2-3-17(29)13(6-12)7-23)9-28(20)10-18(30)26-16-4-5-24-8-15(16)22/h2-6,8-9,11,29H,10H2,1H3,(H,24,26,30) | Definition date: | 2021-03-12 | Last modified: | 2022-03-11 | Release date: | 2022-03-09 | Identifier: | N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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![OFC OFC](https://data.pdbj.org/pdbjplus/data/cc/svg/OFC.svg) | OFC | Name: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one | Formula: | C9 H13 F N3 O7 P | SMILES: | O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | InChi: | InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1 | Definition date: | 2021-05-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one |
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![811 811](https://data.pdbj.org/pdbjplus/data/cc/svg/811.svg) | 811 | Name: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid | Formula: | C28 H22 Cl3 N3 O5 | SMILES: | OC(=O)c1ccnc(c1)N2CC(O)(C2)c3ccc(OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6)cc3Cl | InChi: | InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36) | Synonyms: | Cilofexor | Definition date: | 2021-11-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid |
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![BA7 BA7](https://data.pdbj.org/pdbjplus/data/cc/svg/BA7.svg) | BA7 | Name: | [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate | Formula: | C22 H27 N5 O15 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](OC(=O)c5ccccc5)[CH]4O)[CH](O)[CH]3O | InChi: | InChI=1S/C22H27N5O15P2/c23-18-13-19(25-8-24-18)27(9-26-13)20-16(30)14(28)11(39-20)6-37-43(33,34)42-44(35,36)38-7-12-15(29)17(22(32)40-12)41-21(31)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-17,20,22,28-30,32H,6-7H2,(H,33,34)(H,35,36)(H2,23,24,25)/t11-,12-,14-,15-,16-,17-,20-,22-/m1/s1 | Definition date: | 2021-06-26 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate |
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![9OW 9OW](https://data.pdbj.org/pdbjplus/data/cc/svg/9OW.svg) | 9OW | Name: | 3-selanyl-L-alaninamide | Formula: | C3 H8 N2 O Se | SMILES: | NC(=O)C(N)C[SeH] | InChi: | InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-selanyl-L-alaninamide |
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![9UV 9UV](https://data.pdbj.org/pdbjplus/data/cc/svg/9UV.svg) | 9UV | Name: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | Formula: | C27 H27 Cl N4 O6 | SMILES: | N#CC=Cc1cc(cc(Cl)c1)Oc1ccc(OCCN2CCOCC2)cc1OCCN1C=CC(=O)NC1=O | InChi: | InChI=1S/C27H27ClN4O6/c28-21-16-20(2-1-6-29)17-23(18-21)38-24-4-3-22(36-14-10-31-8-12-35-13-9-31)19-25(24)37-15-11-32-7-5-26(33)30-27(32)34/h1-5,7,16-19H,8-15H2,(H,30,33,34)/b2-1+ | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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![9W3 9W3](https://data.pdbj.org/pdbjplus/data/cc/svg/9W3.svg) | 9W3 | Name: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile | Formula: | C28 H30 N8 O2 | SMILES: | N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1 | InChi: | InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+ | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile |
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![9WI 9WI](https://data.pdbj.org/pdbjplus/data/cc/svg/9WI.svg) | 9WI | Name: | (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile | Formula: | C22 H17 N7 | SMILES: | N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N | InChi: | InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28) | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile |
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![7SE 7SE](https://data.pdbj.org/pdbjplus/data/cc/svg/7SE.svg) | 7SE | Name: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione | Formula: | C11 H10 N4 O2 | SMILES: | O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1 | InChi: | InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione |
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![GEU GEU](https://data.pdbj.org/pdbjplus/data/cc/svg/GEU.svg) | GEU | Name: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione | Formula: | C22 H19 Cl N4 O4 | SMILES: | CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C | InChi: | InChI=1S/C22H19ClN4O4/c1-11-15(19(28)18-12(2)24-26(4)20(18)29)8-9-16-17(11)21(30)27(22(31)25(16)3)14-7-5-6-13(23)10-14/h5-10,24H,1-4H3 | Definition date: | 2020-08-26 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
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![GJL GJL](https://data.pdbj.org/pdbjplus/data/cc/svg/GJL.svg) | GJL | Name: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one | Formula: | C16 H17 N3 O5 S | SMILES: | CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O | InChi: | InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3 | Definition date: | 2020-08-31 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one |
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![6ZI 6ZI](https://data.pdbj.org/pdbjplus/data/cc/svg/6ZI.svg) | 6ZI | Name: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide | Formula: | C24 H21 F N2 O2 | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1 | InChi: | InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28) | Definition date: | 2021-08-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide |
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