 | | Q4C | | Name: | ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide | | Formula: | C25 H22 Cl F3 N4 O3 | | SMILES: | Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4 | | InChi: | InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35) | | Definition date: | 2022-10-13 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide |
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 | | Q4O | | Name: | ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide | | Formula: | C23 H17 Cl F4 N2 O4 | | SMILES: | COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F | | InChi: | InChI=1S/C23H17ClF4N2O4/c1-33-19-5-3-2-4-12(19)11-29-21(31)15-9-14(16(24)10-17(15)25)22(32)30-13-6-7-20(18(26)8-13)34-23(27)28/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32) | | Definition date: | 2022-10-13 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide |
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 | | Q5O | | Name: | ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide | | Formula: | C23 H17 Cl F4 N2 O3 | | SMILES: | Cc1cc(OC(F)F)ccc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)cc3 | | InChi: | InChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32) | | Definition date: | 2022-10-14 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide |
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 | | Q5X | | Name: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide | | Formula: | C25 H21 Cl F2 N2 O4 | | SMILES: | COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F | | InChi: | InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32) | | Definition date: | 2022-10-14 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide |
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 | | Q8F | | Name: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide | | Formula: | C27 H24 Cl F5 N2 O4 | | SMILES: | COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F | | InChi: | InChI=1S/C27H24ClF5N2O4/c1-15-9-18(27(31,32)33)4-6-24(15)35-26(37)20-11-21(23(30)12-22(20)28)25(36)34-13-16-3-5-19(29)10-17(16)14-39-8-7-38-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,34,36)(H,35,37) | | Definition date: | 2022-10-14 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
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 | | QJK | | Name: | 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid | | Formula: | C24 H15 Cl N2 O8 | | SMILES: | OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C24H15ClN2O8/c25-14-5-1-13(2-6-14)21(29)19-20(12-3-7-15(8-4-12)27(34)35)26(23(31)22(19)30)16-9-10-18(28)17(11-16)24(32)33/h1-11,20,28,30H,(H,32,33)/t20-/m1/s1 | | Definition date: | 2020-06-17 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid |
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 | | QZR | | Name: | 6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine | | Formula: | C14 H13 N3 O2 S2 | | SMILES: | Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1 | | InChi: | InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17) | | Definition date: | 2022-11-21 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine |
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 | | RRI | | Name: | 1-indol-1-ylethanone | | Formula: | C10 H11 N O | | SMILES: | CC(=O)N1CCc2ccccc12 | | InChi: | InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3 | | Definition date: | 2022-12-06 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 1-(2,3-dihydroindol-1-yl)ethanone |
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 | | SOZ | | Name: | 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine | | Formula: | C19 H13 F5 N6 | | SMILES: | Cc1nc2ccc(F)cc2n1c3nc(N)c(F)c(Nc4ccc(cc4)C(F)(F)F)n3 | | InChi: | InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29) | | Definition date: | 2022-12-19 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine |
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 | | 8R9 | | Name: | [[(3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate | | Formula: | C15 H19 N3 O10 S | | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)OC1=NOC(=O)Nc2ccccc2 | | InChi: | InChI=1S/C15H19N3O10S/c1-8(19)16-11-13(21)12(20)10(7-26-29(23,24)25)27-14(11)18-28-15(22)17-9-5-3-2-4-6-9/h2-6,10-13,20-21H,7H2,1H3,(H,16,19)(H,17,22)(H,23,24,25)/t10-,11-,12-,13-/m1/s1 | | Definition date: | 2021-12-24 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | [[(3~{R},4~{R},5~{S},6~{R})-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate |
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 | | SYF | | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C44 H57 N7 O8 S | | SMILES: | CC(=O)NCc1cc(ccc1OCCOCCOCCC(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C)c5cn6CCCc6n5 | | InChi: | InChI=1S/C44H57N7O8S/c1-28-40(60-27-47-28)31-10-8-30(9-11-31)23-46-42(55)36-22-34(53)25-51(36)43(56)41(44(3,4)5)49-39(54)14-16-57-17-18-58-19-20-59-37-13-12-32(21-33(37)24-45-29(2)52)35-26-50-15-6-7-38(50)48-35/h8-13,21,26-27,34,36,41,53H,6-7,14-20,22-25H2,1-5H3,(H,45,52)(H,46,55)(H,49,54)/t34-,36+,41-/m1/s1 | | Definition date: | 2022-12-20 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | E1V | | Name: | ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Formula: | C23 H26 N2 O2 | | SMILES: | CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4 | | InChi: | InChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3 | | Definition date: | 2021-12-23 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate |
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 | | E93 | | Name: | ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Formula: | C22 H24 N2 O2 | | SMILES: | CCOC(=O)c1cc2cc(ccc2n1CC3CCCC3)c4ccncc4 | | InChi: | InChI=1S/C22H24N2O2/c1-2-26-22(25)21-14-19-13-18(17-9-11-23-12-10-17)7-8-20(19)24(21)15-16-5-3-4-6-16/h7-14,16H,2-6,15H2,1H3 | | Definition date: | 2022-01-04 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate |
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 | | E9I | | Name: | 2-(3,4-dimethoxyphenyl)ethanamide | | Formula: | C10 H13 N O3 | | SMILES: | COc1ccc(CC(N)=O)cc1OC | | InChi: | InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12) | | Definition date: | 2022-01-04 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | 2-(3,4-dimethoxyphenyl)ethanamide |
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 | | AQR | | Name: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid | | Formula: | C29 H38 O4 | | SMILES: | C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C | | InChi: | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | | Definition date: | 2018-11-20 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid |
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 | | DQE | | Name: | ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate | | Formula: | C16 H14 N2 O2 | | SMILES: | CCOC(=O)c1[nH]c2ccc(cc2c1)c3ccncc3 | | InChi: | InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3 | | Definition date: | 2021-12-17 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate |
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 | | 5K9 | | Name: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol | | Formula: | C21 H32 O2 | | SMILES: | CCCCCc1cc(O)c2[CH]3C[CH](C)CC[CH]3C(C)(C)Oc2c1 | | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17+/m1/s1 | | Definition date: | 2021-07-12 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (9~{R})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol |
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 | | I6K | | Name: | 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex | | Formula: | C15 H9 Au Cl N9 | | SMILES: | Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6 | | InChi: | InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12 | | Definition date: | 2022-02-15 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 |
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 | | IXJ | | Name: | (2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid | | Formula: | C27 H46 N8 O5 | | SMILES: | NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O)Cc1ccccc1)C(=O)NCCCC[CH](NC(N)=N)C(O)=O | | InChi: | InChI=1S/C27H46N8O5/c28-15-7-4-12-20(24(37)32-17-9-6-14-22(26(39)40)35-27(30)31)34-25(38)21(13-5-8-16-29)33-23(36)18-19-10-2-1-3-11-19/h1-3,10-11,20-22H,4-9,12-18,28-29H2,(H,32,37)(H,33,36)(H,34,38)(H,39,40)(H4,30,31,35)/t20-,21-,22+/m0/s1 | | Definition date: | 2022-04-20 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid |
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 | | IXU | | Name: | (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide | | Formula: | C21 H44 N8 O3 | | SMILES: | CCC(=O)N[CH](CCCCN)C(=O)N[CH](CCCCN)C(=O)NCCCCCNC(N)=N | | InChi: | InChI=1S/C21H44N8O3/c1-2-18(30)28-17(11-5-7-13-23)20(32)29-16(10-4-6-12-22)19(31)26-14-8-3-9-15-27-21(24)25/h16-17H,2-15,22-23H2,1H3,(H,26,31)(H,28,30)(H,29,32)(H4,24,25,27)/t16-,17-/m0/s1 | | Definition date: | 2022-04-20 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide |
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 | | IY3 | | Name: | (2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide | | Formula: | C28 H50 N10 O4 | | SMILES: | NCCCC[CH](NC(=O)Cc1cccc(CN)c1)C(=O)N[CH](CCCCN)C(=O)NCCCC[CH](NC(N)=N)C(N)=O | | InChi: | InChI=1S/C28H50N10O4/c29-13-4-1-11-22(26(41)35-15-6-3-10-21(25(32)40)38-28(33)34)37-27(42)23(12-2-5-14-30)36-24(39)17-19-8-7-9-20(16-19)18-31/h7-9,16,21-23H,1-6,10-15,17-18,29-31H2,(H2,32,40)(H,35,41)(H,36,39)(H,37,42)(H4,33,34,38)/t21-,22+,23+/m1/s1 | | Definition date: | 2022-04-20 | | Last modified: | 2022-12-23 | | Release date: | 2022-12-28 | | Identifier: | (2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide |
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 | | H8T | | Name: | Virginiamycin M | | Formula: | C28 H33 N3 O7 | | SMILES: | CC(C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3 | | InChi: | InChI=1S/C28H33N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-10,12-13,16-17,19-20,26,32H,11,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1 | | Definition date: | 2018-11-26 | | Last modified: | 2022-12-19 | | Release date: | 2020-07-08 | | Identifier: | (10~{R},11~{R},12~{E},17~{E},19~{E},21~{S})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone |
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 | | UKL | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) | | Formula: | C37 H66 N7 O17 P3 S | | SMILES: | CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | | InChi: | InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26(45)22-65-20-19-39-28(46)17-18-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-21-27-31(60-62(50,51)52)30(47)36(59-27)44-25-43-29-33(38)41-24-42-34(29)44/h24-25,27,30-32,36,47-48H,4-23H2,1-3H3,(H,39,46)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t27-,30-,31-,32+,36-/m1/s1 | | Definition date: | 2022-08-22 | | Last modified: | 2022-12-16 | | Release date: | 2022-12-21 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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 | | J6X | | Name: | 2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol | | Formula: | C12 H9 N O S2 | | SMILES: | Cc1csc(n1)c2sc3ccccc3c2O | | InChi: | InChI=1S/C12H9NOS2/c1-7-6-15-12(13-7)11-10(14)8-4-2-3-5-9(8)16-11/h2-6,14H,1H3 | | Definition date: | 2022-08-08 | | Last modified: | 2022-12-16 | | Release date: | 2022-12-21 | | Identifier: | 2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol |
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 | | U3L | | Name: | (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one | | Formula: | C8 H8 Br N3 O2 | | SMILES: | OC1=C(NC(Br)=CC1=O)C1=NCCN1 | | InChi: | InChI=1S/C8H8BrN3O2/c9-5-3-4(13)7(14)6(12-5)8-10-1-2-11-8/h3,14H,1-2H2,(H,10,11)(H,12,13) | | Definition date: | 2022-08-03 | | Last modified: | 2022-12-16 | | Release date: | 2022-12-21 | | Identifier: | (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one |
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