 | | VTK | | Name: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide | | Formula: | C20 H25 N3 O5 S2 | | SMILES: | CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)[S](C)(=O)=O | | InChi: | InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24) | | Definition date: | 2023-09-18 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide |
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 | | ZUV | | Name: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate | | Formula: | C17 H31 F N O4 P | | SMILES: | FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC | | InChi: | InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1 | | Definition date: | 2023-04-04 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate |
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 | | WCK | | Name: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine | | Formula: | C18 H20 N6 O S | | SMILES: | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 | | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | | Definition date: | 2023-09-29 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine |
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 | | VIJ | | Name: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid | | Formula: | C21 H23 N O3 | | SMILES: | CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1 | | InChi: | InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+ | | Synonyms: | N-(p-Amylcinnamoyl)anthranilic acid | | Definition date: | 2023-09-13 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
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 | | S7L | | Name: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium | | Formula: | C24 H22 N2 | | SMILES: | C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3 | | InChi: | InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2 | | Definition date: | 2023-04-11 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium |
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 | | HIY | | Name: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine | | Formula: | C19 H23 N7 O4 S | | SMILES: | Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)Nc2ccccc2)C(O)C1O | | InChi: | InChI=1S/C19H23N7O4S/c20-16-13-17(23-9-22-16)26(10-24-13)18-15(28)14(27)12(30-18)8-31-7-6-21-19(29)25-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,27-28H,6-8H2,(H2,20,22,23)(H2,21,25,29)/t12-,14-,15-,18-/m1/s1 | | Definition date: | 2023-05-01 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine |
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 | | VY9 | | Name: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid | | Formula: | C12 H23 N O4 | | SMILES: | CCCCCCC[CH](CC(O)=O)NCC(O)=O | | InChi: | InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17) | | Definition date: | 2023-09-03 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid |
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 | | S8I | | Name: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium | | Formula: | C14 H18 N2 | | SMILES: | CC[n+]1ccc(cc1)c2cc[n+](CC)cc2 | | InChi: | InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2 | | Definition date: | 2023-04-11 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium |
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 | | V3X | | Name: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide | | Formula: | C16 H21 F N2 O2 S | | SMILES: | CC(C)[CH](S)C(=O)N[CH](CO)Cc1c[nH]c2cccc(F)c12 | | InChi: | InChI=1S/C16H21FN2O2S/c1-9(2)15(22)16(21)19-11(8-20)6-10-7-18-13-5-3-4-12(17)14(10)13/h3-5,7,9,11,15,18,20,22H,6,8H2,1-2H3,(H,19,21)/t11-,15-/m0/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide |
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 | | ZM5 | | Name: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate | | Formula: | C32 H62 O5 | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC | | InChi: | InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1 | | Synonyms: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate |
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 | | XIU | | Name: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide | | Formula: | C24 H19 Cl N6 O | | SMILES: | Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)c5[nH]cnc5)c1 | | InChi: | InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27) | | Synonyms: | CCF0058981 | | Definition date: | 2023-11-03 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide |
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 | | VN6 | | Name: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | | Formula: | C30 H37 N9 O5 S2 | | SMILES: | CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)[S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S](C)(=O)=O | | InChi: | InChI=1S/C30H37N9O5S2/c1-21-14-25(17-32)35-30(33-21)38-10-12-39(13-11-38)46(43,44)26-7-5-24(6-8-26)34-29(40)27-15-22(18-37-19-23(16-31)20-37)4-9-28(27)36(2)45(3,41)42/h4-9,14-15,23H,10-13,16,18-20,31H2,1-3H3,(H,34,40) | | Definition date: | 2023-09-14 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide |
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 | | V83 | | Name: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid | | Formula: | C19 H23 N O5 S | | SMILES: | O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC | | InChi: | InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1 | | Definition date: | 2023-09-11 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
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 | | SY6 | | Name: | N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide | | Formula: | C20 H18 N6 O3 | | SMILES: | O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N | | InChi: | InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1 | | Definition date: | 2023-04-18 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | ~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide |
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 | | SZO | | Name: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | | Formula: | C22 H18 N2 O4 | | SMILES: | Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3 | | Definition date: | 2023-04-19 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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 | | C74 | | Name: | 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine | | Formula: | C16 H15 N4 O4 S | | SMILES: | O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 | | InChi: | InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1 | | Definition date: | 2023-05-23 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
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 | | TKC | | Name: | (2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid | | Formula: | C15 H23 N6 O16 P3 | | SMILES: | N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | | InChi: | InChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1 | | Definition date: | 2023-04-26 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid |
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 | | TN9 | | Name: | N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine | | Formula: | C21 H36 N10 O3 | | SMILES: | CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1 | | InChi: | InChI=1S/C21H36N10O3/c1-2-3-4-5-7-32-9-11-34-12-10-33-8-6-31-18-21(26-29-31)17-30(15-19-13-22-27-24-19)16-20-14-23-28-25-20/h13-14,18H,2-12,15-17H2,1H3,(H,22,24,27)(H,23,25,28) | | Definition date: | 2023-04-27 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | ~{N}-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1~{H}-1,2,3-triazol-4-yl)-~{N}-(2~{H}-1,2,3-triazol-4-ylmethyl)methanamine |
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 | | A1H5E | | Name: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Formula: | C14 H28 O8 S | | SMILES: | CCCCCCCCO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C14H28O8S/c1-2-3-4-5-6-7-8-21-14-13(17)12(16)11(15)10(22-14)9-23(18,19)20/h10-17H,2-9H2,1H3,(H,18,19,20)/t10-,11-,12+,13-,14+/m1/s1 | | Definition date: | 2024-02-27 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid |
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 | | A2U | | Name: | S-Ethyl-CoA | | Formula: | C23 H40 N7 O16 P3 S | | SMILES: | CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22+/m1/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-(2-ethylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate |
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 | | A1AF7 | | Name: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate | | Formula: | C40 H77 O10 P | | SMILES: | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC | | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38-/m1/s1 | | Definition date: | 2024-02-28 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate |
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 | | A1AHB | | Name: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide | | Formula: | C44 H58 N8 O5 S | | SMILES: | CN1CCN(CC1)c1cc(c(nc1)C(C)OC)c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1CC1C | | InChi: | InChI=1S/C44H58N8O5S/c1-8-51-37-12-11-28-19-31(37)33(40(51)32-20-29(23-45-39(32)27(3)56-7)50-16-14-49(6)15-17-50)22-44(4,5)25-57-43(55)34-10-9-13-52(48-34)42(54)35(21-38-46-36(28)24-58-38)47-41(53)30-18-26(30)2/h11-12,19-20,23-24,26-27,30,34-35,48H,8-10,13-18,21-22,25H2,1-7H3,(H,47,53)/t26-,27+,30+,34+,35-/m0/s1 | | Definition date: | 2024-03-06 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name) |
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 | | A1AHE | | Name: | N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | Formula: | C22 H18 F2 N4 O5 S | | SMILES: | CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(cc3OC2=O)Oc2ncccc2F)c1F | | InChi: | InChI=1S/C22H18F2N4O5S/c1-12-15-6-5-14(32-21-17(23)4-3-8-27-21)11-18(15)33-22(29)16(12)10-13-7-9-26-20(19(13)24)28-34(30,31)25-2/h3-9,11,25H,10H2,1-2H3,(H,26,28) | | Definition date: | 2024-03-07 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide |
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 | | KJ9 | | Name: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid | | Formula: | C37 H69 O17 P | | SMILES: | CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O | | InChi: | InChI=1S/C37H69O17P/c1-3-5-7-9-11-13-15-17-19-21-33(43)53-29(26-49-32(42)20-18-16-14-12-10-8-6-4-2)27-52-55(47,48)51-25-28(39)24-50-37(36(45)46)22-30(40)34(44)35(54-37)31(41)23-38/h28-31,34-35,38-41,44H,3-27H2,1-2H3,(H,45,46)(H,47,48)/t28-,29+,30+,31+,34-,35+,37+/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid |
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 | | GXF | | Name: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine | | Formula: | C26 H29 Cl N8 O3 S | | SMILES: | Clc1ccc(cc1)c1cc(ccc1)NC(=N)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C26H29ClN8O3S/c27-17-7-5-15(6-8-17)16-3-1-4-18(11-16)34-26(29)30-9-2-10-39-12-19-21(36)22(37)25(38-19)35-14-33-20-23(28)31-13-32-24(20)35/h1,3-8,11,13-14,19,21-22,25,36-37H,2,9-10,12H2,(H2,28,31,32)(H3,29,30,34)/t19-,21-,22-,25-/m1/s1 | | Definition date: | 2023-05-01 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine |
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