 | | A1BHF | | Name: | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine | | Formula: | C27 H23 F6 N9 O | | SMILES: | FC(F)(F)c1nc(n(C)c1)c1ccc(cc1)CN1c2nc(ncc2N(CC(F)(F)F)C1=N)c1c(ncnc1OC)C1CC1 | | InChi: | InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3 | | Definition date: | 2024-11-14 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine |
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 | | A1AZ7 | | Name: | Nystatin | | Formula: | C47 H75 N O17 | | SMILES: | O=C(O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2 | | InChi: | InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 | | Synonyms: | (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid | | Definition date: | 2024-07-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid |
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 | | A1A4Y | | Name: | 3-(methanesulfonyl)propan-1-amine | | Formula: | C4 H11 N O2 S | | SMILES: | NCCCS(C)(=O)=O | | InChi: | InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 3-(methanesulfonyl)propan-1-amine |
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 | | A1A5P | | Name: | 6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one | | Formula: | C19 H18 F3 N3 O | | SMILES: | FC(F)(F)c1ccc(cc1)Cc1c2C(C)=CN(C(=O)c2nn1C)C1CC1 | | InChi: | InChI=1S/C19H18F3N3O/c1-11-10-25(14-7-8-14)18(26)17-16(11)15(24(2)23-17)9-12-3-5-13(6-4-12)19(20,21)22/h3-6,10,14H,7-9H2,1-2H3 | | Definition date: | 2024-09-10 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one |
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 | | A1A8P | | Name: | 2-[3-[[2-azanyl-7-[(5-chloranyl-1-benzofuran-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]methyl]phenyl]ethylphosphonic acid | | Formula: | C23 H22 Cl N5 O5 P | | SMILES: | O=P(O)(O)CCc1cccc(c1)Cn1c[n+](Cc2cc3cc(Cl)ccc3o2)c2C(=O)NC(N)=Nc21 | | InChi: | InChI=1S/C23H21ClN5O5P/c24-17-4-5-19-16(9-17)10-18(34-19)12-28-13-29(21-20(28)22(30)27-23(25)26-21)11-15-3-1-2-14(8-15)6-7-35(31,32)33/h1-5,8-10,13H,6-7,11-12H2,(H4-,25,26,27,30,31,32,33)/p+1 | | Definition date: | 2024-09-20 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-amino-7-[(5-chloro-1-benzofuran-2-yl)methyl]-6-oxo-9-{[3-(2-phosphonoethyl)phenyl]methyl}-6,9-dihydro-1H-purin-7-ium |
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 | | A1A8U | | Name: | (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione | | Formula: | C22 H23 F2 N3 O3 | | SMILES: | FC(F)CC12CCc3ccccc3C2N2N3C=CC(=O)C(O)=C3C(=O)N(C)C2CC1 | | InChi: | InChI=1S/C22H23F2N3O3/c1-25-17-7-10-22(12-16(23)24)9-6-13-4-2-3-5-14(13)20(22)27(17)26-11-8-15(28)19(29)18(26)21(25)30/h2-5,8,11,16-17,20,29H,6-7,9-10,12H2,1H3/t17-,20+,22+/m0/s1 | | Definition date: | 2024-09-20 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione |
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 | | A1ECN | | Name: | (3~{S})-1,2-diazinane-3-carboxylic acid | | Formula: | C5 H10 N2 O2 | | SMILES: | OC(=O)[CH]1CCCNN1 | | InChi: | InChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1 | | Synonyms: | (S)-Hexahydropyridazine-3-carboxylic acid | | Definition date: | 2024-09-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (3~{S})-1,2-diazinane-3-carboxylic acid |
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 | | A1EIY | | Name: | (1R)-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol | | Formula: | C8 H5 Cl2 F3 O | | SMILES: | O[CH](c1ccc(Cl)c(Cl)c1)C(F)(F)F | | InChi: | InChI=1S/C8H5Cl2F3O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1 | | Synonyms: | (R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol | | Definition date: | 2025-01-02 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1~{R})-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol |
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 | | A1EIZ | | Name: | (1R)-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol | | Formula: | C8 H6 Cl F3 O | | SMILES: | O[CH](c1ccccc1Cl)C(F)(F)F | | InChi: | InChI=1S/C8H6ClF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1 | | Synonyms: | (1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethan-1-ol | | Definition date: | 2025-01-02 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1~{R})-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol |
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 | | A1L31 | | Name: | ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide | | Formula: | C25 H24 F N7 O2 S | | SMILES: | CN(C)C(=O)c1n2cc(F)ccc2nc1C3CN(C3)c4cc(C(=O)NCC(N)=S)c5ccccc5n4 | | InChi: | InChI=1S/C25H24FN7O2S/c1-31(2)25(35)23-22(30-20-8-7-15(26)13-33(20)23)14-11-32(12-14)21-9-17(24(34)28-10-19(27)36)16-5-3-4-6-18(16)29-21/h3-9,13-14H,10-12H2,1-2H3,(H2,27,36)(H,28,34) | | Definition date: | 2024-08-26 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide |
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 | | A1LXQ | | Name: | dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate | | Formula: | C17 H13 N O6 | | SMILES: | COC(=O)c1cc(cc(c1)c2oc3C=CNC(=O)c3c2)C(=O)OC | | InChi: | InChI=1S/C17H13NO6/c1-22-16(20)10-5-9(6-11(7-10)17(21)23-2)14-8-12-13(24-14)3-4-18-15(12)19/h3-8H,1-2H3,(H,18,19) | | Definition date: | 2024-02-04 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate |
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 | | A1LXV | | Name: | A-1210477 | | Formula: | C46 H55 N7 O7 S | | SMILES: | CN(C)[S](=O)(=O)N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c(CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C(O)=O)cc2 | | InChi: | InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55) | | Synonyms: | 1668553-26-1 | | Definition date: | 2024-02-06 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethyl-pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid |
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 | | A1H16 | | Name: | [6-methyl-5-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazol-5-yl)methyl]-4~{H}-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C11 H11 N2 O6 P S2 | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=C2SC(=S)NC2=O)c1O | | InChi: | InChI=1S/C11H11N2O6PS2/c1-5-9(14)7(2-8-10(15)13-11(21)22-8)6(3-12-5)4-19-20(16,17)18/h2-3,14H,4H2,1H3,(H,13,15,21)(H2,16,17,18)/b8-2- | | Definition date: | 2024-01-12 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | [6-methyl-5-oxidanyl-4-[(~{Z})-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate |
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 | | A1H1U | | Name: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid | | Formula: | C9 H9 B O4 | | SMILES: | OB1O[CH](CC(O)=O)c2ccccc12 | | InChi: | InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1 | | Synonyms: | 4'-methylflavone | | Definition date: | 2024-01-05 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
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 | | A1H1Y | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide | | Formula: | C27 H27 Cl2 F3 N4 O6 | | SMILES: | CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)C(=O)N([CH]4CCC[CH]4O)c5cc(Cl)cc(Cl)c5 | | InChi: | InChI=1S/C27H27Cl2F3N4O6/c1-41-25-23(35-10-18(33-34-35)12-5-16(30)22(32)17(31)6-12)24(39)21(11-37)42-26(25)27(40)36(19-3-2-4-20(19)38)15-8-13(28)7-14(29)9-15/h5-10,19-21,23-26,37-39H,2-4,11H2,1H3/t19-,20-,21+,23-,24-,25+,26+/m0/s1 | | Definition date: | 2024-01-09 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide |
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 | | A1H2Q | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol | | Formula: | C23 H26 Cl F3 N6 O5 | | SMILES: | CO[CH]1[CH](Cc2cn(nn2)[CH]3CCOC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F | | InChi: | InChI=1S/C23H26ClF3N6O5/c1-36-23-17(6-11-7-32(30-28-11)16-4-5-37-10-14(16)25)38-18(9-34)22(35)21(23)33-8-15(29-31-33)12-2-3-13(24)20(27)19(12)26/h2-3,7-8,14,16-18,21-23,34-35H,4-6,9-10H2,1H3/t14-,16-,17+,18+,21-,22-,23-/m0/s1 | | Definition date: | 2024-01-22 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol |
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 | | A1H2R | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol | | Formula: | C22 H24 Cl F3 N6 O5 | | SMILES: | CO[CH]1[CH](Cc2cn(nn2)[CH]3COC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F | | InChi: | InChI=1S/C22H24ClF3N6O5/c1-35-22-16(4-10-5-31(29-27-10)15-9-36-8-13(15)24)37-17(7-33)21(34)20(22)32-6-14(28-30-32)11-2-3-12(23)19(26)18(11)25/h2-3,5-6,13,15-17,20-22,33-34H,4,7-9H2,1H3/t13-,15+,16-,17-,20+,21+,22+/m1/s1 | | Definition date: | 2024-01-22 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol |
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 | | A1H9E | | Name: | ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate | | Formula: | C24 H34 F N5 O7 | | SMILES: | CC(C)(C)OC(=O)NC1=CC(=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O)F | | InChi: | InChI=1S/C24H34FN5O7/c1-24(2,3)37-23(36)29-16-10-14(25)11-30(22(16)35)17(8-12-4-5-12)21(34)28-15(18(31)19(26)32)9-13-6-7-27-20(13)33/h10-13,15,17-18,31H,4-9H2,1-3H3,(H2,26,32)(H,27,33)(H,28,34)(H,29,36)/t13-,15+,17-,18-/m0/s1 | | Definition date: | 2024-04-24 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate |
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 | | A1H9Y | | Name: | (2R,3R)-3-[[(2S)-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide | | Formula: | C24 H35 N5 O6 | | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)C(C)C)C3=O | | InChi: | InChI=1S/C24H35N5O6/c1-13(2)20(31)27-16-5-4-10-29(24(16)35)18(11-14-6-7-14)22(33)28-17(19(30)23(34)25-3)12-15-8-9-26-21(15)32/h4-5,10,13-15,17-19,30H,6-9,11-12H2,1-3H3,(H,25,34)(H,26,32)(H,27,31)(H,28,33)/t15-,17+,18-,19+/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R})-3-[[(2~{S})-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide |
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 | | A1H9Z | | Name: | tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate | | Formula: | C25 H36 F N5 O7 | | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=C(F)C=C(NC(=O)OC(C)(C)C)C3=O | | InChi: | InChI=1S/C25H36FN5O7/c1-25(2,3)38-24(37)30-17-11-15(26)12-31(23(17)36)18(9-13-5-6-13)21(34)29-16(19(32)22(35)27-4)10-14-7-8-28-20(14)33/h11-14,16,18-19,32H,5-10H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,30,37)/t14-,16-,18-,19+/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate |
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 | | A1IEZ | | Name: | (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one | | Formula: | C22 H22 Cl F N4 O3 | | SMILES: | COCC[CH]1CNC(=O)c2c1[nH]c(c2Nc3cccc(Cl)c3OC)c4ccncc4F | | InChi: | InChI=1S/C22H22ClFN4O3/c1-30-9-7-12-10-26-22(29)17-18(12)28-19(13-6-8-25-11-15(13)24)20(17)27-16-5-3-4-14(23)21(16)31-2/h3-6,8,11-12,27-28H,7,9-10H2,1-2H3,(H,26,29)/t12-/m0/s1 | | Definition date: | 2024-06-18 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
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 | | A1IF7 | | Name: | Enarodustat | | Formula: | C17 H16 N4 O4 | | SMILES: | OC(=O)CNC(=O)C1=C2N=CNN2C(=CC1=O)CCc3ccccc3 | | InChi: | InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24) | | Synonyms: | 2-[[7-oxidanylidene-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-8-yl]carbonylamino]ethanoic acid | | Definition date: | 2024-06-27 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-[[7-oxidanylidene-5-(2-phenylethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-8-yl]carbonylamino]ethanoic acid |
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 | | A1IGD | | Name: | 2,4-dinitroiodobenzene | | Formula: | C6 H3 I N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(I)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H | | Synonyms: | 1-iodanyl-2,4-dinitro-benzene | | Definition date: | 2024-06-27 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 1-iodanyl-2,4-dinitro-benzene |
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 | | A1II9 | | Name: | adenosine-5'-[(beta,gamma)-imido]triphosphate-adenosine-monophosphate-adenosine-monophosphate | | Formula: | C30 H41 N16 O24 P5 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n6cnc7c(N)ncnc67)n8cnc9c(N)ncnc89)[CH](O)[CH]3O | | InChi: | InChI=1S/C30H41N16O24P5/c31-22-13-25(37-4-34-22)44(7-40-13)28-17(48)16(47)10(65-28)1-62-73(56,57)68-20-11(66-29(18(20)49)45-8-41-14-23(32)35-5-38-26(14)45)2-63-74(58,59)69-21-12(3-64-75(60,61)70-72(54,55)43-71(51,52)53)67-30(19(21)50)46-9-42-15-24(33)36-6-39-27(15)46/h4-12,16-21,28-30,47-50H,1-3H2,(H,56,57)(H,58,59)(H,60,61)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H4,43,51,52,53,54,55)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 | | Synonyms: | [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid | | Definition date: | 2024-07-28 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | [[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
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 | | A1IMF | | Name: | hexavanadate (V6-OH) polyoxometalate | | Formula: | C10 H18 O21 V6 | | SMILES: | OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2 | | InChi: | InChI=1S/2C5H9O4.13O.6V/c2*6-1-5(2-7,3-8)4-9 | | Definition date: | 2024-08-21 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 |
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