 | | XV0 | | Name: | 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide | | Formula: | C23 H16 N6 O | | SMILES: | N#Cc1ccc(cc1)Nc1nc(ccn1)C(=O)Nc1cnccc1c1ccccc1 | | InChi: | InChI=1S/C23H16N6O/c24-14-16-6-8-18(9-7-16)27-23-26-13-11-20(29-23)22(30)28-21-15-25-12-10-19(21)17-4-2-1-3-5-17/h1-13,15H,(H,28,30)(H,26,27,29) | | Definition date: | 2022-12-13 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide |
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 | | RBR | | Name: | rocuronium | | Formula: | C32 H53 N2 O4 | | SMILES: | C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1 | | InChi: | InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1 | | Definition date: | 2022-10-17 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | 17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane |
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 | | T7R | | Name: | tungsten cofactor | | Formula: | C20 H24 N10 O14 P2 S4 W | | SMILES: | NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[CH]7NC8=C(N[CH]7O[CH]6CO[P](O)(O)=O)N=C(N)NC8=O)C(=O)N1 | | InChi: | InChI=1S/2C10H14N5O6PS2.2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | | Synonyms: | [(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-6-sulfanyl-3,4~{a},5,5~{a},8,9~{a}-hexahydropyrano[3,2-g]pteridin-7-yl]sulfanyl-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-7-sulfanyl-3,5,5~{a},6,7,8,9~{a},10-octahydropyrano[3,2-g]pteridin-6-yl]sulfanyl]-bis($l^{1}-oxidanyl)tungsten | | Definition date: | 2022-12-22 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | [(1~{R},1'~{R},10~{R},10'~{R},16~{R},16'~{R})-5,5'-bis(azanyl)-7,7',13,13-tetrakis(oxidanylidene)-16'-(phosphonooxymethyl)-13,13'-spirobi[17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{8}-tungstatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-triene]-16-yl]methyl dihydrogen phosphate |
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 | | K7P | | Name: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide | | Formula: | C12 H17 N O7 S2 | | SMILES: | N[S](=O)(=O)c1ccc(S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 | | InChi: | InChI=1S/C12H17NO7S2/c13-22(18,19)7-3-1-6(2-4-7)21-12-11(17)10(16)9(15)8(5-14)20-12/h1-4,8-12,14-17H,5H2,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1 | | Synonyms: | 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | | Definition date: | 2022-05-19 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide |
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 | | EKI | | Name: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide | | Formula: | C13 H15 N5 O3 | | SMILES: | NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1 | | InChi: | InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19) | | Definition date: | 2023-03-27 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide |
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 | | H4I | | Name: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide | | Formula: | C23 H19 F5 N2 O4 S2 | | SMILES: | Fc1ccc(c(F)c1)[S](=O)(=O)Nc2ccc3CCCN(c3c2)[S](=O)(=O)Cc4ccc(cc4)C(F)(F)F | | InChi: | InChI=1S/C23H19F5N2O4S2/c24-18-8-10-22(20(25)12-18)36(33,34)29-19-9-5-16-2-1-11-30(21(16)13-19)35(31,32)14-15-3-6-17(7-4-15)23(26,27)28/h3-10,12-13,29H,1-2,11,14H2 | | Definition date: | 2022-05-20 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 2,4-bis(fluoranyl)-~{N}-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-2~{H}-quinolin-7-yl]benzenesulfonamide |
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 | | I5O | | Name: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene | | Formula: | C25 H24 B F2 N4 O2 | | SMILES: | Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2c4cc[n+](Cc5ccc(cc5)[N](=O)=O)cc4 | | InChi: | InChI=1S/C25H24BF2N4O2/c1-16-13-18(3)30-24(16)23(25-17(2)14-19(4)31(25)26(30,27)28)21-9-11-29(12-10-21)15-20-5-7-22(8-6-20)32(33)34/h5-14H,15H2,1-4H3/q+1 | | Definition date: | 2022-06-10 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene |
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 | | 9NG | | Name: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one | | Formula: | C24 H21 Br N6 O3 S2 | | SMILES: | O=S(=O)(N1CCC2(CC1)c1cc(Br)ccc1N(Cc1ccc(cc1)c1nnn[NH]1)C2=O)c1cccs1 | | InChi: | InChI=1S/C24H21BrN6O3S2/c25-18-7-8-20-19(14-18)24(9-11-30(12-10-24)36(33,34)21-2-1-13-35-21)23(32)31(20)15-16-3-5-17(6-4-16)22-26-28-29-27-22/h1-8,13-14H,9-12,15H2,(H,26,27,28,29) | | Definition date: | 2017-05-19 | | Last modified: | 2023-05-25 | | Release date: | 2017-07-05 | | Identifier: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one |
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 | | SA1 | | Name: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE | | Formula: | C15 H21 N O4 | | SMILES: | O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3 | | InChi: | InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 | | Synonyms: | Salinosporamide A, bound form | | Definition date: | 2005-12-29 | | Last modified: | 2023-05-22 | | Identifier: | (3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde |
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 | | W08 | | Name: | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide | | Formula: | C16 H23 N7 O4 | | SMILES: | CN1CCC(CC1)NC(=O)[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34 | | InChi: | InChI=1S/C16H23N7O4/c1-22-4-2-8(3-5-22)21-15(26)12-10(24)11(25)16(27-12)23-7-20-9-13(17)18-6-19-14(9)23/h6-8,10-12,16,24-25H,2-5H2,1H3,(H,21,26)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1 | | Synonyms: | (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-(1-methyl-4-piperidinyl)tetrahydro-2-furancarboxamide | | Definition date: | 2023-04-21 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | VKL | | Name: | 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene | | Formula: | C12 H12 F2 N4 | | SMILES: | C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3 | | InChi: | InChI=1S/C12H11F2N4/c1-17-12-15-4-5-18(12)7-11(16-17)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3/q+1/p+1 | | Definition date: | 2023-03-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 3-[3,4-bis(fluoranyl)phenyl]-1-methyl-7,8-dihydro-6~{H}-imidazo[2,1-c][1,2,4]triazine-1,5-diium |
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 | | ZI5 | | Name: | (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide | | Formula: | C24 H41 N O2 | | SMILES: | CC(NC(=O)CCC/C=CC/C=CCC=C/C(C)/C=CCCCCC)CO | | InChi: | InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide |
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 | | K8U | | Name: | [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate | | Formula: | C83 H150 O17 P2 | | SMILES: | CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1 | | Definition date: | 2022-09-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate |
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 | | VF8 | | Name: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one | | Formula: | C33 H41 Cl N2 O5 S | | SMILES: | CO[CH]1C=CC[CH](C)[CH](C)[S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)ccc45)C[N](C[CH]6CC[CH]16)c3c2 | | InChi: | InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1 | | Definition date: | 2021-05-13 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 |
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 | | OJR | | Name: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C24 H31 N7 O2 S | | SMILES: | NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1 | | InChi: | InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | OK0 | | Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C19 H19 F3 N6 O2 S | | SMILES: | FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 | | InChi: | InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide |
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 | | OKC | | Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C18 H20 N6 O2 S | | SMILES: | NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 | | InChi: | InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | 80J | | Name: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H15 F N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | | InChi: | InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) |
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 | | OK6 | | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one | | Formula: | C27 H29 N9 O13 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68 | | InChi: | InChI=1S/C27H29N9O13P2/c28-21-15-12(11-4-2-1-3-5-11)6-35(22(15)31-9-30-21)25-18(38)19-14(47-25)8-45-51(42,43)49-20-17(37)13(7-44-50(40,41)48-19)46-26(20)36-10-32-16-23(36)33-27(29)34-24(16)39/h1-6,9-10,13-14,17-20,25-26,37-38H,7-8H2,(H,40,41)(H,42,43)(H2,28,30,31)(H3,29,33,34,39)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 | | Synonyms: | 2',3'-cyclic-GMP-7-deazaphenyl-AMP | | Definition date: | 2022-09-13 | | Last modified: | 2023-05-15 | | Release date: | 2022-10-12 | | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one |
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 | | QBO | | Name: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid | | Formula: | C24 H38 N4 O3 | | SMILES: | C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3Cc5nnnn5[C]12C | | InChi: | InChI=1S/C24H38N4O3/c1-14(4-9-22(30)31)18-7-8-19-17-6-5-15-12-16(29)10-11-23(15,2)20(17)13-21-25-26-27-28(21)24(18,19)3/h14-20,29H,4-13H2,1-3H3,(H,30,31)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1 | | Definition date: | 2022-10-24 | | Last modified: | 2023-05-15 | | Release date: | 2023-03-08 | | Identifier: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid |
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 | | OVL | | Name: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione | | Formula: | C29 H36 N14 O8 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O | | InChi: | InChI=1S/C29H36N14O8/c30-23-17-25(37-10-35-23)42(12-39-17)27-21(47)20(46)14(51-27)8-41-6-1-3-15-40-18-24(31)36-11-38-26(18)43(15)28-22(48)19(45)13(50-28)7-34-29(49)33-5-2-4-32-16(44)9-41/h10-14,19-22,27-28,45-48H,2,4-9H2,(H,32,44)(H2,30,35,37)(H2,31,36,38)(H2,33,34,49)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1 | | Definition date: | 2022-09-21 | | Last modified: | 2023-05-15 | | Release date: | 2023-01-11 | | Identifier: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione |
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 | | U79 | | Name: | methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate | | Formula: | C44 H38 N8 O5 S2 | | SMILES: | COC(=O)C[CH]1N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4ccc(cc4)[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N)c7c(C)c(C)sc7n8c(C)nnc18 | | InChi: | InChI=1S/C44H38N8O5S2/c1-24-6-19-35(41-38(24)33(21-45)23-46-41)51-59(55,56)34-17-7-28(8-18-34)22-47-43(54)32-15-11-30(12-16-32)29-9-13-31(14-10-29)40-39-25(2)26(3)58-44(39)52-27(4)49-50-42(52)36(48-40)20-37(53)57-5/h6-19,23,36,46,51H,20,22H2,1-5H3,(H,47,54)/t36-/m0/s1 | | Definition date: | 2023-01-27 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate |
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 | | 6RA | | Name: | N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine | | Formula: | C17 H17 N3 | | SMILES: | c1cccc2[NH]c(nc12)NC1CCCc2ccccc21 | | InChi: | InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1 | | Definition date: | 2016-05-31 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine |
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 | | E7K | | Name: | 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline | | Formula: | C27 H26 N6 S | | SMILES: | Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1 | | InChi: | InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3 | | Definition date: | 2021-12-03 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline |
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 | | IS4 | | Name: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C23 H30 Br N5 O4 | | SMILES: | CCC(=O)N1CCC(CC1)[CH]2CCNc3n2nc(c4cc(OC)c(Br)c(OC)c4)c3C(N)=O | | InChi: | InChI=1S/C23H30BrN5O4/c1-4-18(30)28-9-6-13(7-10-28)15-5-8-26-23-19(22(25)31)21(27-29(15)23)14-11-16(32-2)20(24)17(12-14)33-3/h11-13,15,26H,4-10H2,1-3H3,(H2,25,31)/t15-/m0/s1 | | Definition date: | 2022-07-14 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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