 | | T1L | | Name: | 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide | | Formula: | C24 H20 Cl N3 O4 S | | SMILES: | Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4 | | InChi: | InChI=1S/C24H20ClN3O4S/c1-14-18(24(29)28-33(30,31)16-6-7-16)13-19(17-9-11-27-23(14)17)15-5-8-20(25)21(12-15)32-22-4-2-3-10-26-22/h2-5,8-13,16,27H,6-7H2,1H3,(H,28,29) | | Definition date: | 2022-12-20 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide |
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 | | WX0 | | Name: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one | | Formula: | C23 H22 F3 N5 O | | SMILES: | C[CH]1C[C](C1)(c2cccc(c2)C3=Cc4c(NC3=O)n(C)cc4C(F)(F)F)c5nncn5C | | InChi: | InChI=1S/C23H22F3N5O/c1-13-9-22(10-13,21-29-27-12-31(21)3)15-6-4-5-14(7-15)16-8-17-18(23(24,25)26)11-30(2)19(17)28-20(16)32/h4-8,11-13H,9-10H2,1-3H3,(H,28,32)/t13-,22+ | | Definition date: | 2023-10-17 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7~{H}-pyrrolo[2,3-b]pyridin-6-one |
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 | | T2F | | Name: | 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid | | Formula: | C16 H12 Cl N O2 | | SMILES: | Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20) | | Definition date: | 2022-12-20 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid |
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 | | T2O | | Name: | 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide | | Formula: | C19 H17 Cl N2 O3 S | | SMILES: | Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C19H17ClN2O3S/c1-11-16(19(23)22-26(24,25)14-6-7-14)10-17(15-8-9-21-18(11)15)12-2-4-13(20)5-3-12/h2-5,8-10,14,21H,6-7H2,1H3,(H,22,23) | | Definition date: | 2022-12-20 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide |
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 | | R6U | | Name: | (1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium | | Formula: | C5 H11 N2 O3 Ru | | SMILES: | Cn1cc[n+](C)c1[Ru](O)(O)O | | InChi: | InChI=1S/C5H8N2.3H2O.Ru/c1-6-3-4-7(2)5-6 | | Definition date: | 2023-01-04 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | (1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium |
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 | | OR6 | | Name: | (2~{S})-2-butyl-3-methylidene-butanedioic acid | | Formula: | C9 H14 O4 | | SMILES: | CCCC[CH](C(O)=O)C(=C)C(O)=O | | InChi: | InChI=1S/C9H14O4/c1-3-4-5-7(9(12)13)6(2)8(10)11/h7H,2-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | | Definition date: | 2023-02-09 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | (2~{S})-2-butyl-3-methylidene-butanedioic acid |
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 | | QS0 | | Name: | N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Formula: | C24 H27 N7 O | | SMILES: | COc1cc(ccc1Nc2nccc(n2)c3cn(C)c4cnccc34)N5CCN(C)CC5 | | InChi: | InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | | Synonyms: | N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Definition date: | 2022-11-14 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | ~{N}-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine |
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 | | R7O | | Name: | Gossypin | | Formula: | C21 H20 O13 | | SMILES: | OC[CH]1O[CH](Oc2c(O)cc(O)c3C(=O)C(=C(Oc23)c4ccc(O)c(O)c4)O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1 | | Synonyms: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one | | Definition date: | 2022-11-17 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one |
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 | | SJ0 | | Name: | N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide | | Formula: | C23 H24 N6 O2 | | SMILES: | CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1 | | InChi: | InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1 | | Definition date: | 2023-08-25 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide |
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 | | LYY | | Name: | 1,5-anhydro-D-arabinitol | | Formula: | C5 H10 O4 | | SMILES: | OC1COCC(O)C1O | | InChi: | InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1 | | Definition date: | 2007-10-18 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 1,5-anhydro-D-arabinitol |
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 | | 7Q6 | | Name: | [[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H16 N5 O12 P3 Se | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(=O)O[P](O)(O)=O)O3 | | InChi: | InChI=1S/C10H16N5O12P3Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30+/m0/s1 | | Definition date: | 2023-03-08 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | 978 | | Name: | ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | | Formula: | C19 H15 N3 O5 | | SMILES: | Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N](=O)=O)cc2 | | InChi: | InChI=1S/C19H15N3O5/c1-12-3-2-4-13(11-12)18(23)20-14-5-7-15(8-6-14)21-19(24)16-9-10-17(27-16)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24) | | Definition date: | 2023-07-14 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide |
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 | | 8EB | | Name: | [[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate | | Formula: | C10 H15 N5 O9 P2 Se | | SMILES: | NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(O)=O)O3)c2N1 | | InChi: | InChI=1S/C10H15N5O9P2Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-22-26(21,27)24-25(18,19)20/h3-6,16H,1-2H2,(H,21,27)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,26+/m0/s1 | | Definition date: | 2023-03-28 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate |
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 | | JQJ | | Name: | Polyoxidovanadate complex | | Formula: | O54 V20 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]1O[V](O[V]2O[V]O2)O[V]3O[V]4O[V]5O[V]6O[V](O[V])O[V]7(O[V]8O[V]O[V](O6)O[V]9O[V](O9)O[V](O8)O[V](O1)(O3)O[V](O4)O7)O5 | | InChi: | InChI=1S/26H2O.28O.20V/h26*1H2 | | Definition date: | 2023-08-08 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 |
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 | | QHL | | Name: | delta-[Ru(tap2-dppz-CN)]2+ | | Formula: | C39 H21 N13 Ru | | SMILES: | N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1 | | InChi: | InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16 | | Synonyms: | Cyano-derivative of Ruthenium-dipyridophenazine | | Definition date: | 2016-11-24 | | Last modified: | 2024-01-03 | | Release date: | 2018-01-17 |
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 | | KSB | | Name: | lambda-[Ru(tap2-dppz-CN)]2+ | | Formula: | C39 H21 N13 Ru | | SMILES: | N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1 | | InChi: | InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16 | | Synonyms: | Cyano-derivative of Ruthenium-dipyridophenazine | | Definition date: | 2016-08-23 | | Last modified: | 2024-01-03 | | Release date: | 2018-01-17 |
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 | | 9SZ | | Name: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene | | Formula: | C42 H32 O8 P2 | | SMILES: | O[P](O)(=O)Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18 | | InChi: | InChI=1S/C42H32O8P2/c43-51(44,45)49-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(50-52(46,47)48)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2,(H2,43,44,45)(H2,46,47,48)/t21-,22+,23+,24-,33-,34+,35+,36- | | Definition date: | 2017-07-10 | | Last modified: | 2024-01-03 | | Release date: | 2017-07-26 |
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 | | WIP | | Name: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid | | Formula: | C21 H16 O6 | | SMILES: | O=C(O)c1cc(cc(O)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O | | InChi: | InChI=1S/C21H16O6/c22-17-9-15(8-16(10-17)20(23)24)14-6-7-18(21(25)26)19(11-14)27-12-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,23,24)(H,25,26) | | Definition date: | 2023-05-14 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid |
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 | | YUT | | Name: | {difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid | | Formula: | C7 H19 F2 O26 P7 | | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)C(F)(F)P(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O | | InChi: | InChI=1S/C7H19F2O26P7/c8-7(9,36(10,11)12)37(13,14)30-1-2(31-38(15,16)17)4(33-40(21,22)23)6(35-42(27,28)29)5(34-41(24,25)26)3(1)32-39(18,19)20/h1-6H,(H,13,14)(H2,10,11,12)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t1-,2-,3+,4+,5-,6+ | | Definition date: | 2023-02-22 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | {difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid |
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 | | WJR | | Name: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid | | Formula: | C114 H199 N3 O54 P2 | | SMILES: | CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O | | InChi: | InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-35-40-47-54-85(131)157-73(52-45-39-34-30-24-17-10-2)59-88(134)163-103-91(117-83(129)58-72(51-43-37-27-20-13-5)158-86(132)55-70(123)49-42-36-26-19-12-4)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-44-38-31-25-18-11-3)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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 | | WJW | | Name: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid | | Formula: | C114 H199 N3 O54 P2 | | SMILES: | CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O | | InChi: | InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-36-40-47-54-85(131)157-73(52-45-39-35-31-25-18-11-3)59-88(134)163-103-91(117-83(129)58-72(51-44-37-26-19-12-4)158-86(132)55-70(123)49-42-38-34-30-24-17-10-2)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-43-27-20-13-5)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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 | | YX9 | | Name: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one | | Formula: | C21 H29 F2 N5 O2 | | SMILES: | FC(F)(c1ccccc1)C(O)CCC1CCC(=O)N1CCCCCCc1nnn[NH]1 | | InChi: | InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,17-18,29H,1-2,6-7,10-15H2,(H,24,25,26,27)/t17-,18+/m0/s1 | | Definition date: | 2023-03-02 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one |
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 | | V9E | | Name: | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine | | Formula: | C13 H12 Cl N5 S | | SMILES: | Cn1cc(Cc2sccc2)c(n1)c3cc(Cl)nc(N)n3 | | InChi: | InChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17) | | Definition date: | 2023-02-27 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
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 | | VB6 | | Name: | Zosurabalpin | | Formula: | C43 H50 N8 O5 S | | SMILES: | O=C(O)c1ccc(cc1)c1cccc2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12 | | InChi: | InChI=1S/C43H50N8O5S/c1-51-37(23-30-25-47-34-12-3-2-10-32(30)34)40(53)49-26-33-31(27-16-18-28(19-17-27)43(55)56)11-6-15-38(33)57-41-29(9-8-22-46-41)24-48-35(14-7-21-45)39(52)50-36(42(51)54)13-4-5-20-44/h2-3,6,8-12,15-19,22,25,35-37,47-48H,4-5,7,13-14,20-21,23-24,26,44-45H2,1H3,(H,49,53)(H,50,52)(H,55,56)/t35-,36-,37-/m0/s1 | | Synonyms: | 4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid | | Definition date: | 2023-01-09 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | 4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid |
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 | | X6Q | | Name: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid | | Formula: | C24 H21 N O7 | | SMILES: | O=C(O)c1cc(cc(OCC(=O)NC)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O | | InChi: | InChI=1S/C24H21NO7/c1-25-22(26)14-31-19-10-17(9-18(11-19)23(27)28)16-7-8-20(24(29)30)21(12-16)32-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,26)(H,27,28)(H,29,30) | | Definition date: | 2023-06-02 | | Last modified: | 2023-12-29 | | Release date: | 2024-01-03 | | Identifier: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid |
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