 | | Q0T | | Name: | ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate | | Formula: | C12 H12 N6 O2 | | SMILES: | CCOC(=O)Cn1cc(cn1)c2ncnc(N)c2C#N | | InChi: | InChI=1S/C12H12N6O2/c1-2-20-10(19)6-18-5-8(4-17-18)11-9(3-13)12(14)16-7-15-11/h4-5,7H,2,6H2,1H3,(H2,14,15,16) | | Definition date: | 2020-05-04 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate |
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 | | Q0W | | Name: | 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile | | Formula: | C10 H10 N6 | | SMILES: | CCn1cc(cn1)c2ncnc(N)c2C#N | | InChi: | InChI=1S/C10H10N6/c1-2-16-5-7(4-15-16)9-8(3-11)10(12)14-6-13-9/h4-6H,2H2,1H3,(H2,12,13,14) | | Definition date: | 2020-05-04 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile |
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 | | Q0Z | | Name: | 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine | | Formula: | C14 H11 Cl F N5 | | SMILES: | Nc1ncnc(c1Cl)c2cnn(Cc3cccc(F)c3)c2 | | InChi: | InChI=1S/C14H11ClFN5/c15-12-13(18-8-19-14(12)17)10-5-20-21(7-10)6-9-2-1-3-11(16)4-9/h1-5,7-8H,6H2,(H2,17,18,19) | | Definition date: | 2020-05-04 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine |
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 | | Q1H | | Name: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine | | Formula: | C13 H10 F3 N3 O | | SMILES: | Nc1nc2cc(ccc2n1Cc3occc3)C(F)(F)F | | InChi: | InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18) | | Definition date: | 2020-05-05 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine |
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 | | Q1K | | Name: | 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine | | Formula: | C10 H14 N6 O2 S | | SMILES: | C[S](=O)(=O)N1CCN(CC1)c2ccc3nncn3n2 | | InChi: | InChI=1S/C10H14N6O2S/c1-19(17,18)15-6-4-14(5-7-15)10-3-2-9-12-11-8-16(9)13-10/h2-3,8H,4-7H2,1H3 | | Definition date: | 2020-05-05 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
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 | | Q1N | | Name: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide | | Formula: | C20 H27 N7 O5 S | | SMILES: | Cc1cc(CC(=O)N[CH](C[S](=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N)on1 | | InChi: | InChI=1S/C20H27N7O5S/c1-15-12-16(32-25-15)13-19(28)24-17(20(29)23-7-5-21)14-33(30,31)27-10-8-26(9-11-27)18-4-2-3-6-22-18/h2-6,12,17,21H,7-11,13-14H2,1H3,(H,23,29)(H,24,28)/b21-5-/t17-/m0/s1 | | Definition date: | 2020-05-05 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide |
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 | | Q1Q | | Name: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine | | Formula: | C14 H15 N3 | | SMILES: | N[CH]1CCc2nc(ncc2C1)c3ccccc3 | | InChi: | InChI=1S/C14H15N3/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8,15H2/t12-/m1/s1 | | Definition date: | 2020-05-05 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine |
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 | | FZF | | Name: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C25 H29 N7 O3 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZL | | Name: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C24 H27 N7 O2 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O | | InChi: | InChI=1S/C24H27N7O2/c1-33-19-12-17(31-11-5-8-20(31)32)9-10-18(19)28-24-29-22-21(15(13-25)14-26-22)23(30-24)27-16-6-3-2-4-7-16/h9-10,12,14,16H,2-8,11H2,1H3,(H3,26,27,28,29,30) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZO | | Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C23 H25 N7 O3 | | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC4)n2)N5CCCC5=O | | InChi: | InChI=1S/C23H25N7O3/c1-32-18-11-16(30-8-2-3-19(30)31)4-5-17(18)27-23-28-21-20(14(12-24)13-25-21)22(29-23)26-15-6-9-33-10-7-15/h4-5,11,13,15H,2-3,6-10H2,1H3,(H3,25,26,27,28,29) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FZR | | Name: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C17 H20 N8 | | SMILES: | Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)cn1 | | InChi: | InChI=1S/C17H20N8/c1-25-10-13(9-20-25)22-17-23-15-14(11(7-18)8-19-15)16(24-17)21-12-5-3-2-4-6-12/h8-10,12H,2-6H2,1H3,(H3,19,21,22,23,24) | | Definition date: | 2020-07-10 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | G0U | | Name: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C24 H27 N7 O2 | | SMILES: | COc1cc(ccc1Nc2nc(NCC3CCCC3)c4c([nH]cc4C#N)n2)N5CCCC5=O | | InChi: | InChI=1S/C24H27N7O2/c1-33-19-11-17(31-10-4-7-20(31)32)8-9-18(19)28-24-29-22(26-13-15-5-2-3-6-15)21-16(12-25)14-27-23(21)30-24/h8-9,11,14-15H,2-7,10,13H2,1H3,(H3,26,27,28,29,30) | | Definition date: | 2020-07-14 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | G5C | | Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C19 H19 N7 O2 | | SMILES: | CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)nc4[nH]cc(C#N)c14 | | InChi: | InChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25) | | Definition date: | 2020-07-23 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | FJL | | Name: | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid | | Formula: | C36 H54 O10 | | SMILES: | CC1(C)[CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O[CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O | | InChi: | InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29+,32+,33-,34-,35+,36+/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | EJR | | Name: | N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine | | Formula: | C20 H17 F N6 O | | SMILES: | Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25 | | InChi: | InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | | Definition date: | 2020-01-08 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | ~{N}-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
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 | | J3F | | Name: | (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | | Formula: | C26 H29 N3 O5 S | | SMILES: | CCN(CC)c1ccc2c(OC(=O)C=C2N(C)CCOc3ccc(C[CH]4SC(=O)NC4=O)cc3)c1 | | InChi: | InChI=1S/C26H29N3O5S/c1-4-29(5-2)18-8-11-20-21(16-24(30)34-22(20)15-18)28(3)12-13-33-19-9-6-17(7-10-19)14-23-25(31)27-26(32)35-23/h6-11,15-16,23H,4-5,12-14H2,1-3H3,(H,27,31,32)/t23-/m0/s1 | | Definition date: | 2021-03-31 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (5~{S})-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
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 | | HE9 | | Name: | methyl 3,4-bis(oxidanyl)benzoate | | Formula: | C8 H8 O4 | | SMILES: | COC(=O)c1ccc(O)c(O)c1 | | InChi: | InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 | | Definition date: | 2020-12-23 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | methyl 3,4-bis(oxidanyl)benzoate |
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 | | HER | | Name: | 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one | | Formula: | C16 H12 O8 | | SMILES: | COc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O | | InChi: | InChI=1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3 | | Definition date: | 2020-12-23 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one |
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 | | HF0 | | Name: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one | | Formula: | C16 H14 O8 | | SMILES: | COc1cc(O)c2C(=O)[CH](O)[CH](Oc2c1)c3cc(O)c(O)c(O)c3 | | InChi: | InChI=1S/C16H14O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,15-20,22H,1H3/t15-,16+/m1/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | (2~{S},3~{S})-7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-2,3-dihydrochromen-4-one |
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 | | KK6 | | Name: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile | | Formula: | C31 H29 F N6 O3 | | SMILES: | COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6)C#N)c2cc1OC | | InChi: | InChI=1S/C31H29FN6O3/c1-40-28-14-24-26(15-29(28)41-2)34-19-35-30(24)36-11-9-20(10-12-36)17-37-18-21-5-3-4-6-27(21)38(31(37)39)23-7-8-25(32)22(13-23)16-33/h3-8,13-15,19-20H,9-12,17-18H2,1-2H3 | | Definition date: | 2020-06-24 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4~{H}-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile |
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 | | IS7 | | Name: | 1,5-dimethyl-3~{H}-indol-2-one | | Formula: | C10 H11 N O | | SMILES: | CN1C(=O)Cc2cc(C)ccc12 | | InChi: | InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3 | | Definition date: | 2020-05-05 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 1,5-dimethyl-3~{H}-indol-2-one |
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 | | MW8 | | Name: | 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide | | Formula: | C27 H25 Br N4 O2 | | SMILES: | Brc1ccc(cc1)c2oc(cc2)C(=O)N(Cc3ccccn3)c4ccc(cc4)N5CCNCC5 | | InChi: | InChI=1S/C27H25BrN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2 | | Definition date: | 2019-10-25 | | Last modified: | 2021-05-07 | | Release date: | 2021-05-12 | | Identifier: | 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide |
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 | | WG7 | | Name: | (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid | | Formula: | C10 H15 N4 O4 P | | SMILES: | C(CCNCc2cnc1C(NC=Nc12)=O)P(O)(O)=O | | InChi: | InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18) | | Definition date: | 2020-10-29 | | Last modified: | 2021-04-30 | | Release date: | 2021-05-05 | | Identifier: | (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid |
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 | | UBM | | Name: | COENZYME F420-4 | | Formula: | C39 H50 N7 O24 P | | SMILES: | C1(NC(=O)N=C3C1=Cc2ccc(cc2N3CC(C(C(COP(=O)(O)OC(C)C(NC(C(=O)O)CCC(NC(C(O)=O)CCC(NC(C(=O)O)CCC(NC(C(O)=O)CCC(O)=O)=O)=O)=O)=O)O)O)O)O)=O | | InChi: | InChI=1S/C39H50N7O24P/c1-16(70-71(67,68)69-15-26(49)31(55)25(48)14-46-24-13-18(47)3-2-17(24)12-19-32(46)44-39(66)45-34(19)57)33(56)43-23(38(64)65)6-10-29(52)41-21(36(60)61)4-8-27(50)40-20(35(58)59)5-9-28(51)42-22(37(62)63)7-11-30(53)54/h2-3,12-13,16,20-23,25-26,31,47-49,55H,4-11,14-15H2,1H3,(H,40,50)(H,41,52)(H,42,51)(H,43,56)(H,53,54)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,67,68)(H,45,57,66)/t16-,20-,21-,22-,23-,25-,26+,31-/m0/s1 | | Synonyms: | (2~{S})-2-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanyl
idene-4-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1~{H}-pyrim
ido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanedi
oic acid | | Definition date: | 2020-05-07 | | Last modified: | 2021-04-30 | | Release date: | 2021-05-05 | | Identifier: | (3S,8S,13S,18S,21S,23R,26R,27S,28S)-23,26,27,28-tetrahydroxy-29-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-21-methyl-5,10,15,20-tetraoxo-22,24-dioxa-4,9,14,19-tetraaza-23-phosphanonacosane-1,3,8,13,18-pentacarboxylic acid 23-oxide (non-preferred name) |
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 | | YED | | Name: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone | | Formula: | C34 H51 N5 O7 | | SMILES: | O=C1C(NC(C(NC(C2N(C(C(N1)C(C)CC)=O)CCCC2)=O)CCCCCC(CC)(O)O)=O)Cc3c4c(n(c3)OC)cccc4 | | InChi: | InChI=1S/C34H51N5O7/c1-5-22(3)29-33(43)38-19-13-11-17-28(38)32(42)35-25(15-8-7-12-18-34(44,45)6-2)30(40)36-26(31(41)37-29)20-23-21-39(46-4)27-16-10-9-14-24(23)27/h9-10,14,16,21-22,25-26,28-29,44-45H,5-8,11-13,15,17-20H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,25-,26-,28+,29-/m0/s1 | | Definition date: | 2021-02-23 | | Last modified: | 2021-04-30 | | Release date: | 2021-05-05 | | Identifier: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone |
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