 | | OJU | | Name: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium | | Formula: | C18 H33 Cl N5 O12 P2 | | SMILES: | C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N | | InChi: | InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1 | | Synonyms: | Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker) | | Definition date: | 2022-09-13 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium |
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 | | OYH | | Name: | 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid | | Formula: | C27 H19 N3 O4 | | SMILES: | O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C27H19N3O4/c31-26(32)21-12-11-20(16-22(21)27(33)34)28-25-24(18-9-5-2-6-10-18)29-23-15-19(13-14-30(23)25)17-7-3-1-4-8-17/h1-16,28H,(H,31,32)(H,33,34) | | Definition date: | 2022-05-19 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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 | | OYR | | Name: | 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid | | Formula: | C41 H32 N4 O5 | | SMILES: | O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2ccccn2)cc1 | | InChi: | InChI=1S/C41H32N4O5/c46-40(47)34-18-17-33(25-35(34)41(48)49)43-39-38(44-37-24-32(19-22-45(37)39)29-6-2-1-3-7-29)31-15-9-27(10-16-31)20-23-50-26-28-11-13-30(14-12-28)36-8-4-5-21-42-36/h1-19,21-22,24-25,43H,20,23,26H2,(H,46,47)(H,48,49) | | Definition date: | 2022-05-19 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid |
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 | | P2R | | Name: | N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide | | Formula: | C25 H26 N4 O2 | | SMILES: | Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21 | | InChi: | InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31) | | Definition date: | 2022-05-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide |
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 | | AI4 | | Name: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide | | Formula: | C33 H34 F N5 O4 | | SMILES: | COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCC(CC5)c6ccc(cc6)C(N)=O | | InChi: | InChI=1S/C33H34FN5O4/c1-20-16-24-26(38-20)8-9-28(31(24)34)43-33-25-17-29(41-2)30(18-27(25)36-19-37-33)42-15-3-12-39-13-10-22(11-14-39)21-4-6-23(7-5-21)32(35)40/h4-9,16-19,22,38H,3,10-15H2,1-2H3,(H2,35,40) | | Definition date: | 2022-03-16 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1~{H}-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide |
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 | | BN8 | | Name: | 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide | | Formula: | C24 H29 Cl F3 N5 O5 S | | SMILES: | O=S(=O)(c1ccc(NC(=O)NCCCCCC(=O)NO)cc1)N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F | | InChi: | InChI=1S/C24H29ClF3N5O5S/c25-18-14-17(24(26,27)28)15-20(16-18)32-10-12-33(13-11-32)39(37,38)21-7-5-19(6-8-21)30-23(35)29-9-3-1-2-4-22(34)31-36/h5-8,14-16,36H,1-4,9-13H2,(H,31,34)(H2,29,30,35) | | Definition date: | 2021-11-17 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide |
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 | | O7F | | Name: | 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol | | Formula: | C16 H19 N3 O6 S2 | | SMILES: | O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1 | | InChi: | InChI=1S/C16H19N3O6S2/c17-12-2-1-3-13(10-12)26(22,23)18-6-8-19(9-7-18)27(24,25)14-4-5-15(20)16(21)11-14/h1-5,10-11,20-21H,6-9,17H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
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 | | O7X | | Name: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide | | Formula: | C25 H21 N O9 S2 | | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1 | | InChi: | InChI=1S/C25H21NO9S2/c27-17-2-1-3-19(11-17)36(32,33)18-7-4-15(5-8-18)14-26-37(34,35)25-13-24(31)23(30)12-20(25)16-6-9-21(28)22(29)10-16/h1-13,26-31H,14H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide |
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 | | O88 | | Name: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide | | Formula: | C19 H17 N O8 S2 | | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 | | InChi: | InChI=1S/C19H17NO8S2/c21-16-7-5-14(9-18(16)23)29(25,26)13-3-1-12(2-4-13)11-20-30(27,28)15-6-8-17(22)19(24)10-15/h1-10,20-24H,11H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide |
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 | | O8F | | Name: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide | | Formula: | C25 H21 N O10 S2 | | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1 | | InChi: | InChI=1S/C25H21NO10S2/c27-19-7-3-15(9-21(19)29)18-11-23(31)24(32)12-25(18)38(35,36)26-13-14-1-4-16(5-2-14)37(33,34)17-6-8-20(28)22(30)10-17/h1-12,26-32H,13H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide |
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 | | O8O | | Name: | (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione | | Formula: | C25 H19 N O10 S2 | | SMILES: | Oc1cc(ccc1O)S(=O)(=O)c1ccc(cc1)CN1c2cc(O)c(O)cc2c2cc(O)c(O)cc2S1(=O)=O | | InChi: | InChI=1S/C25H19NO10S2/c27-19-6-5-15(7-20(19)28)37(33,34)14-3-1-13(2-4-14)12-26-18-10-23(31)21(29)8-16(18)17-9-22(30)24(32)11-25(17)38(26,35)36/h1-11,27-32H,12H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione |
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 | | O8X | | Name: | 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide | | Formula: | C20 H19 N O7 S2 | | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1 | | InChi: | InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide |
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 | | O99 | | Name: | 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide | | Formula: | C19 H17 N O7 S2 | | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1 | | InChi: | InChI=1S/C19H17NO7S2/c21-14-2-1-3-16(10-14)28(24,25)15-6-4-13(5-7-15)12-20-29(26,27)17-8-9-18(22)19(23)11-17/h1-11,20-23H,12H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide |
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 | | O9I | | Name: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide | | Formula: | C25 H21 N O9 S2 | | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)cc1 | | InChi: | InChI=1S/C25H21NO9S2/c27-17-5-3-16(4-6-17)20-12-23(30)24(31)13-25(20)37(34,35)26-14-15-1-7-18(8-2-15)36(32,33)19-9-10-21(28)22(29)11-19/h1-13,26-31H,14H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide |
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 | | O9R | | Name: | 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide | | Formula: | C25 H21 N O8 S2 | | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)cc1 | | InChi: | InChI=1S/C25H21NO8S2/c27-18-8-6-17(7-9-18)22-13-23(29)24(30)14-25(22)36(33,34)26-15-16-4-10-20(11-5-16)35(31,32)21-3-1-2-19(28)12-21/h1-14,26-30H,15H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide |
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 | | OA0 | | Name: | (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione | | Formula: | C12 H8 O6 S | | SMILES: | Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1 | | InChi: | InChI=1S/C12H8O6S/c13-6-1-2-7-8-4-9(14)10(15)5-12(8)19(16,17)18-11(7)3-6/h1-5,13-15H | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione |
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 | | QVP | | Name: | 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid | | Formula: | C19 H17 N O2 S | | SMILES: | c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3 | | InChi: | InChI=1S/C19H17NO2S/c21-19(22)18-17(15-11-5-2-6-12-15)20-16(23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,21,22) | | Definition date: | 2020-01-02 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid |
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 | | KUN | | Name: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid | | Formula: | C17 H18 F N7 O7 | | SMILES: | NC1=NC(=O)C(=C(N)N1)CC(=O)Nc2cnc(c(F)c2)C(=O)N[CH](CCC(O)=O)C(O)=O | | InChi: | InChI=1S/C17H18FN7O7/c18-8-3-6(22-10(26)4-7-13(19)24-17(20)25-14(7)29)5-21-12(8)15(30)23-9(16(31)32)1-2-11(27)28/h3,5,9H,1-2,4H2,(H,22,26)(H,23,30)(H,27,28)(H,31,32)(H5,19,20,24,25,29)/t9-/m0/s1 | | Synonyms: | TH9619 | | Definition date: | 2019-06-27 | | Last modified: | 2023-04-04 | | Release date: | 2021-07-07 | | Identifier: | (2~{S})-2-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pentanedioic acid |
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 | | QOP | | Name: | 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide | | Formula: | C17 H12 Cl2 F3 N7 O2 S | | SMILES: | c3(C(NC(c1ncnc(c1Cl)N)=O)C)ncc(C(Nc2cc(C(F)(F)F)c(cn2)Cl)=O)s3 | | InChi: | InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1 | | Synonyms: | tovorafenib | | Definition date: | 2019-12-03 | | Last modified: | 2023-04-04 | | Release date: | 2020-12-02 | | Identifier: | 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide |
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 | | UEM | | Name: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid | | Formula: | C27 H27 N5 O5 S | | SMILES: | N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O)=O | | InChi: | InChI=1S/C27H27N5O5S/c28-19(27(35)36)10-11-38-13-20-22(33)23(34)26(37-20)32-12-17(21-24(29)30-14-31-25(21)32)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14,19-20,22-23,26,33-34H,10-11,13,28H2,(H,35,36)(H2,29,30,31)/t19-,20+,22+,23+,26+/m0/s1 | | Definition date: | 2023-02-02 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
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 | | Z1T | | Name: | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide | | Formula: | C42 H83 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1 | | Definition date: | 2012-12-18 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide |
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 | | UF9 | | Name: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid | | Formula: | C23 H25 N5 O5 S | | SMILES: | N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3ccccc3)c4c(N)ncnc24)C(O)=O | | InChi: | InChI=1S/C23H25N5O5S/c24-15(23(31)32)8-9-34-11-16-18(29)19(30)22(33-16)28-10-14(7-6-13-4-2-1-3-5-13)17-20(25)26-12-27-21(17)28/h1-5,10,12,15-16,18-19,22,29-30H,8-9,11,24H2,(H,31,32)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
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 | | Y1O | | Name: | methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Formula: | C22 H25 Cl F N7 O4 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OC)CNC | | InChi: | InChI=1S/C22H25ClFN7O4/c1-27-9-11-3-5-13-16(7-11)31(22(34)35-2)17(10-28-21(25)26)18(13)30-20(33)19(32)29-12-4-6-14(23)15(24)8-12/h3-8,17-18,27H,9-10H2,1-2H3,(H,29,32)(H,30,33)(H4,25,26,28)/t17-,18+/m1/s1 | | Definition date: | 2022-12-27 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
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 | | Y1T | | Name: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Formula: | C28 H24 Cl F6 N7 O4 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCc1c(F)c(F)c(F)c(F)c1F)CNC | | InChi: | InChI=1S/C28H24ClF6N7O4/c1-38-8-11-2-4-13-17(6-11)42(28(45)46-10-14-19(31)21(33)23(35)22(34)20(14)32)18(9-39-27(36)37)24(13)41-26(44)25(43)40-12-3-5-15(29)16(30)7-12/h2-7,18,24,38H,8-10H2,1H3,(H,40,43)(H,41,44)(H4,36,37,39)/t18-,24+/m1/s1 | | Definition date: | 2022-12-27 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
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 | | Y1X | | Name: | ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Formula: | C23 H27 Cl F N7 O4 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCC)CNC | | InChi: | InChI=1S/C23H27ClFN7O4/c1-3-36-23(35)32-17-8-12(10-28-2)4-6-14(17)19(18(32)11-29-22(26)27)31-21(34)20(33)30-13-5-7-15(24)16(25)9-13/h4-9,18-19,28H,3,10-11H2,1-2H3,(H,30,33)(H,31,34)(H4,26,27,29)/t18-,19+/m1/s1 | | Definition date: | 2022-12-27 | | Last modified: | 2023-03-31 | | Release date: | 2023-04-05 | | Identifier: | ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
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