 | | UFU | | Name: | cobalt Streptavidin | | Formula: | C41 H50 Co N6 O5 S | | SMILES: | CC(C)(C)C1=CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)C1=O | | InChi: | InChI=1S/C41H52N6O5S.Co/c1-40(2,3)28-13-9-11-26(36(28)49)22-44-30-18-17-25(21-31(30)45-23-27-12-10-14-29(37(27)50)41(4,5)6)38(51)43-20-19-42-34(48)16-8-7-15-33-35-32(24-53-33)46-39(52)47-35 | | Definition date: | 2023-09-05 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 |
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 | | YGC | | Name: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H15 F N5 O12 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3F | | InChi: | InChI=1S/C10H15FN5O12P3/c11-5-7(17)4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 | | Definition date: | 2023-12-04 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | VPT | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate | | Formula: | C20 H20 N6 O8 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(OCC#C)c4)[CH](O)[CH]3O | | InChi: | InChI=1S/C20H20N6O8S/c1-2-6-32-12-5-3-4-11(7-12)19(29)25-35(30,31)33-8-13-15(27)16(28)20(34-13)26-10-24-14-17(21)22-9-23-18(14)26/h1,3-5,7,9-10,13,15-16,20,27-28H,6,8H2,(H,25,29)(H2,21,22,23)/t13-,15-,16-,20-/m1/s1 | | Definition date: | 2023-08-02 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate |
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 | | VQ5 | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate | | Formula: | C18 H19 Cl N6 O7 S | | SMILES: | Cc1c(Cl)cccc1C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34 | | InChi: | InChI=1S/C18H19ClN6O7S/c1-8-9(3-2-4-10(8)19)17(28)24-33(29,30)31-5-11-13(26)14(27)18(32-11)25-7-23-12-15(20)21-6-22-16(12)25/h2-4,6-7,11,13-14,18,26-27H,5H2,1H3,(H,24,28)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1 | | Definition date: | 2023-08-03 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate |
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 | | X5X | | Name: | (2R,4S)-2-[(1R)-2-[[(5S)-5-acetamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C24 H34 N4 O7 S | | SMILES: | CC(=O)N[CH](CCCCNC(=O)[CH](NC(=O)Cc1ccccc1)[CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O | | InChi: | InChI=1S/C24H34N4O7S/c1-14(29)26-16(22(32)33)11-7-8-12-25-20(31)18(21-28-19(23(34)35)24(2,3)36-21)27-17(30)13-15-9-5-4-6-10-15/h4-6,9-10,16,18-19,21,28H,7-8,11-13H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)(H,32,33)(H,34,35)/t16-,18+,19-,21+/m0/s1 | | Synonyms: | PenG-Lys | | Definition date: | 2023-10-23 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | (2~{R},4~{S})-2-[(1~{R})-2-[[(5~{S})-5-acetamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | W92 | | Name: | (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid | | Formula: | C7 H9 N O5 | | SMILES: | N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O | | InChi: | InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2?,3-,4+,7+/m1/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | (1~{R},4~{R},5~{S},6~{R})-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
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 | | YP2 | | Name: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid | | Formula: | C11 H7 N O6 | | SMILES: | OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O | | InChi: | InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18) | | Definition date: | 2023-12-08 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid |
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 | | XTX | | Name: | tris($l^{3}-oxidanylidynemethyl)manganese | | Formula: | C3 Mn O3 | | SMILES: | [Mn].[C-]#[O+].[C-]#[O+].[C-]#[O+] | | InChi: | InChI=1S/3CO.Mn/c3*1-2 | | Definition date: | 2023-11-10 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | tris($l^{3}-oxidanylidynemethyl)manganese |
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 | | VZO | | Name: | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Formula: | C27 H34 N8 O3 | | SMILES: | COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N | | InChi: | InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37) | | Definition date: | 2023-09-07 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide |
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 | | JIX | | Name: | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid | | Formula: | C7 H9 N O5 | | SMILES: | OC(=O)C1(N)COC2C(C21)C(=O)O | | InChi: | InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7-/m0/s1 | | Definition date: | 2023-08-07 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
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 | | I0H | | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C12 H18 F N6 O6 P | | SMILES: | CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[C]3(C)F | | InChi: | InChI=1S/C12H18FN6O6P/c1-12(13)7(20)5(3-24-26(21,22)23)25-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20H,3H2,1-2H3,(H2,21,22,23)(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1 | | Definition date: | 2023-07-24 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | IAU | | Name: | 1-[5-[[3-(trifluoromethyloxy)phenyl]methoxy]pyrimidin-2-yl]pyrazole-4-carboxylic acid | | Formula: | C16 H11 F3 N4 O4 | | SMILES: | OC(=O)c1cnn(c1)c2ncc(OCc3cccc(OC(F)(F)F)c3)cn2 | | InChi: | InChI=1S/C16H11F3N4O4/c17-16(18,19)27-12-3-1-2-10(4-12)9-26-13-6-20-15(21-7-13)23-8-11(5-22-23)14(24)25/h1-8H,9H2,(H,24,25) | | Definition date: | 2023-07-31 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 1-[5-[[3-(trifluoromethyloxy)phenyl]methoxy]pyrimidin-2-yl]pyrazole-4-carboxylic acid |
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 | | IYC | | Name: | Elzovantinib | | Formula: | C20 H20 F N7 O2 | | SMILES: | CCN1Cc2c(O[CH](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N | | InChi: | InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1 | | Synonyms: | (11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile | | Definition date: | 2023-08-04 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 |
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 | | 7QT | | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Formula: | C11 H16 F N5 O10 P2 | | SMILES: | C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C11H16FN5O10P2/c1-11(12)6(18)4(2-25-29(23,24)27-28(20,21)22)26-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1 | | Synonyms: | AT-8500 | | Definition date: | 2023-07-12 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | A1AE6 | | Name: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide | | Formula: | C20 H25 F N4 O3 S | | SMILES: | O=C(NCc1nc(cs1)c1ccc(C)nc1)C1CCCN(C1)C(=O)COCCF | | InChi: | InChI=1S/C20H25FN4O3S/c1-14-4-5-15(9-22-14)17-13-29-18(24-17)10-23-20(27)16-3-2-7-25(11-16)19(26)12-28-8-6-21/h4-5,9,13,16H,2-3,6-8,10-12H2,1H3,(H,23,27)/t16-/m0/s1 | | Definition date: | 2024-02-21 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide |
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 | | A1H8C | | Name: | 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C22 H25 N11 | | SMILES: | CCN(CCN)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1n5cnnc5 | | InChi: | InChI=1S/C22H25N11/c1-2-31(8-7-23)18-6-5-17(9-19(18)32-13-25-26-14-32)28-20-10-21(29-16-3-4-16)33-22(30-20)15(11-24)12-27-33/h5-6,9-10,12-14,16,29H,2-4,7-8,23H2,1H3,(H,28,30) | | Definition date: | 2024-04-12 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | A1IE5 | | Name: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide | | Formula: | C20 H22 N4 O3 | | SMILES: | Cc1cc(nc(n1)C2CC2)C(=O)Nc3cccc(c3)[C]4(C)CCNC(=O)O4 | | InChi: | InChI=1S/C20H22N4O3/c1-12-10-16(24-17(22-12)13-6-7-13)18(25)23-15-5-3-4-14(11-15)20(2)8-9-21-19(26)27-20/h3-5,10-11,13H,6-9H2,1-2H3,(H,21,26)(H,23,25)/t20-/m0/s1 | | Definition date: | 2024-06-18 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide |
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 | | A1IEV | | Name: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | | Formula: | C26 H31 F3 N5 O2 | | SMILES: | C[CH]1CCCN(C1)Cc2cc(c3NN(C(=O)[n]3c2)c4cccc(c4)[C]5(C)CCNC(=O)C5)C(F)(F)F | | InChi: | InChI=1S/C26H31F3N5O2/c1-17-5-4-10-32(14-17)15-18-11-21(26(27,28)29)23-31-34(24(36)33(23)16-18)20-7-3-6-19(12-20)25(2)8-9-30-22(35)13-25/h3,6-7,11-12,16-17,31H,4-5,8-10,13-15H2,1-2H3,(H,30,35)/t17-,25+/m0/s1 | | Definition date: | 2024-06-17 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
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 | | A1ARL | | Name: | N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C12 H10 Cl N5 | | SMILES: | Clc1ccccc1Nc1ncnc2c1cnn2C | | InChi: | InChI=1S/C12H10ClN5/c1-18-12-8(6-16-18)11(14-7-15-12)17-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,15,17) | | Definition date: | 2024-05-13 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | A1ASK | | Name: | N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea | | Formula: | C12 H19 N3 S | | SMILES: | S=C(Nc1cc(C)ccc1)NCCN(C)C | | InChi: | InChI=1S/C12H19N3S/c1-10-5-4-6-11(9-10)14-12(16)13-7-8-15(2)3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16) | | Definition date: | 2024-05-16 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea |
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 | | A1D6Y | | Name: | 2-ethoxycarbonylbenzoic acid | | Formula: | C10 H10 O4 | | SMILES: | CCOC(=O)c1ccccc1C(O)=O | | InChi: | InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12) | | Synonyms: | monoethyl phthalate | | Definition date: | 2024-03-22 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | 2-ethoxycarbonylbenzoic acid |
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 | | A1D8E | | Name: | ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide | | Formula: | C20 H13 F6 N3 O2 S | | SMILES: | C[C](COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N | | InChi: | InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1 | | Synonyms: | monepantel | | Definition date: | 2024-05-20 | | Last modified: | 2024-07-26 | | Release date: | 2024-07-31 | | Identifier: | ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide |
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 | | X3L | | Name: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | | Formula: | C22 H27 N7 O | | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4c(C)[nH]nc4C)cc12 | | InChi: | InChI=1S/C22H27N7O/c1-12(2)29-15(5)21(30)28(6)18-8-7-16(11-19(18)29)24-22-23-10-9-17(25-22)20-13(3)26-27-14(20)4/h7-12,15H,1-6H3,(H,26,27)(H,23,24,25)/t15-/m1/s1 | | Definition date: | 2023-10-20 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
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 | | VCC | | Name: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid | | Formula: | C11 H8 F3 N3 O2 | | SMILES: | Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F | | InChi: | InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19) | | Definition date: | 2023-09-11 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
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 | | WOF | | Name: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline | | Formula: | C23 H29 N7 O6 S | | SMILES: | O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)c1nnnc2c1sc1nc(NC)c3CCCCc3c12 | | InChi: | InChI=1S/C23H29N7O6S/c1-24-19-11-5-3-2-4-10(11)12-13-18(37-21(12)25-19)20(27-28-26-13)29-6-8-30(9-7-29)22-16(33)14(31)15(32)17(36-22)23(34)35/h14-17,22,31-33H,2-9H2,1H3,(H,24,25)(H,34,35)/t14-,15-,16+,17-,22+/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
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