 | | OL9 | | Name: | MK-0752 | | Formula: | C21 H21 Cl F2 O4 S | | SMILES: | OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+ | | Definition date: | 2023-08-23 | | Last modified: | 2024-11-11 | | Release date: | 2024-08-14 | | Identifier: | 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid |
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 | | 6KB | | Name: | 4-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid | | Formula: | C19 H30 N5 O19 P3 | | SMILES: | O=C(CCCOC1OC(C(C1O)O)COP(O)(OP(O)(=O)OCC4OC(n3c2c(c(ncn2)N)nc3)C(C4O)OP(O)(=O)O)=O)O | | InChi: | InChI=1S/C19H30N5O19P3/c20-16-11-17(22-6-21-16)24(7-23-11)18-15(42-44(30,31)32)13(28)9(40-18)5-39-46(35,36)43-45(33,34)38-4-8-12(27)14(29)19(41-8)37-3-1-2-10(25)26/h6-9,12-15,18-19,27-29H,1-5H2,(H,25,26)(H,33,34)(H,35,36)(H2,20,21,22)(H2,30,31,32)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1 | | Definition date: | 2016-04-21 | | Last modified: | 2024-11-11 | | Release date: | 2017-05-03 | | Identifier: | 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name) |
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 | | A1D5A | | Name: | Cloprostenol | | Formula: | C22 H29 Cl O6 | | SMILES: | O[CH](COc1cccc(Cl)c1)C=C[CH]2[CH](O)C[CH](O)[CH]2CC=CCCCC(O)=O | | InChi: | InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1 | | Definition date: | 2023-12-28 | | Last modified: | 2024-11-11 | | Release date: | 2024-02-28 | | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
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 | | A1D8Y | | Name: | GSK-1292263 | | Formula: | C23 H28 N4 O4 S | | SMILES: | CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O | | InChi: | InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3 | | Definition date: | 2024-06-07 | | Last modified: | 2024-11-11 | | Release date: | 2024-06-19 | | Identifier: | 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole |
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 | | XBX | | Name: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid | | Formula: | C50 H89 N O16 | | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC | | InChi: | InChI=1S/C50H89NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-26-43(55)51-36(5)41(54)33-40(53)25-22-21-24-39(52)27-34(3)28-42(66-46(60)31-37(49(62)63)29-44(56)57)48(35(4)23-9-7-2)67-47(61)32-38(50(64)65)30-45(58)59/h34-42,48,52-54H,6-33H2,1-5H3,(H,51,55)(H,56,57)(H,58,59)(H,62,63)(H,64,65) | | Definition date: | 2023-10-30 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid |
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 | | XGB | | Name: | 6-bromo-1H-benzo[d]imidazol-2-amine | | Formula: | C7 H6 Br N3 | | SMILES: | Nc1[nH]c2cc(Br)ccc2n1 | | InChi: | InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11) | | Synonyms: | 6-bromanyl-1H-benzimidazol-2-amine | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 6-bromanyl-1~{H}-benzimidazol-2-amine |
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 | | XH3 | | Name: | 3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid | | Formula: | C15 H11 N3 O3 | | SMILES: | OC(=O)c1nc2ccccc2nc1Nc3cccc(O)c3 | | InChi: | InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid |
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 | | XIW | | Name: | 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid | | Formula: | C15 H12 N4 O2 | | SMILES: | Nc1ccc(cc1)c2n[nH]nc2c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C15H12N4O2/c16-12-7-5-10(6-8-12)14-13(17-19-18-14)9-1-3-11(4-2-9)15(20)21/h1-8H,16H2,(H,20,21)(H,17,18,19) | | Synonyms: | 4-[5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl]benzoic acid | | Definition date: | 2023-11-02 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[5-(4-aminophenyl)-2~{H}-1,2,3-triazol-4-yl]benzoic acid |
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 | | XJL | | Name: | 4-(5-(4-aminophenyl)-1H-pyrazol-1-yl)benzoic acid | | Formula: | C16 H13 N3 O2 | | SMILES: | Nc1ccc(cc1)c2ccnn2c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C16H13N3O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,17H2,(H,20,21) | | Synonyms: | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid | | Definition date: | 2023-11-03 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid |
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 | | XJW | | Name: | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid | | Formula: | C11 H9 N O2 | | SMILES: | CC=C(C#N)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C11H9NO2/c1-2-8(7-12)9-3-5-10(6-4-9)11(13)14/h2-6H,1H3,(H,13,14) | | Definition date: | 2023-11-03 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid |
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 | | XNF | | Name: | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide | | Formula: | C24 H32 N4 O10 P2 S2 | | SMILES: | CO[P](=O)(OC)[CH](Nc1ccc(cc1)[S](N)(=O)=O)c2ccc(cc2)[CH](Nc3ccc(cc3)[S](N)(=O)=O)[P](=O)(OC)OC | | InChi: | InChI=1S/C24H32N4O10P2S2/c1-35-39(29,36-2)23(27-19-9-13-21(14-10-19)41(25,31)32)17-5-7-18(8-6-17)24(40(30,37-3)38-4)28-20-11-15-22(16-12-20)42(26,33)34/h5-16,23-24,27-28H,1-4H3,(H2,25,31,32)(H2,26,33,34)/t23-,24+ | | Definition date: | 2023-11-06 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide |
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 | | XPI | | Name: | 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide | | Formula: | C19 H20 N2 O7 S | | SMILES: | COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O | | InChi: | InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1 | | Definition date: | 2023-11-07 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide |
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 | | 6IL | | Name: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide | | Formula: | C23 H20 F N5 O S2 | | SMILES: | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6 | | InChi: | InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1 | | Definition date: | 2023-02-09 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
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 | | CGO | | Name: | sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | | Formula: | C32 H22 N6 Na2 O6 S2 | | SMILES: | [Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6 | | InChi: | InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34 | | Synonyms: | congo red | | Definition date: | 2011-04-21 | | Last modified: | 2024-11-08 | | Identifier: | mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium |
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 | | A1D9E | | Name: | [(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate | | Formula: | C25 H49 O12 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20-,21-,22-,23-,24+,25-/m1/s1 | | Definition date: | 2024-06-19 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | [(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate |
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 | | A1H5Y | | Name: | (2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol | | Formula: | C17 H23 N3 O7 | | SMILES: | OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3 | | InChi: | InChI=1S/C17H23N3O7/c21-7-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)20-6-12(18-19-20)10-4-2-1-3-5-10/h1-6,11,13-17,21-25H,7-9H2/t11-,13+,14-,15+,16+,17-/m0/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol |
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 | | A1H5Z | | Name: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)-6-[[(3~{S})-piperidin-3-yl]methoxy]oxane-3,4-diol | | Formula: | C20 H28 N4 O5 | | SMILES: | OC[CH]1O[CH](OC[CH]2CCCNC2)[CH]([CH](O)[CH]1O)n3cc(nn3)c4ccccc4 | | InChi: | InChI=1S/C20H28N4O5/c25-11-16-18(26)19(27)17(20(29-16)28-12-13-5-4-8-21-9-13)24-10-15(22-23-24)14-6-2-1-3-7-14/h1-3,6-7,10,13,16-21,25-27H,4-5,8-9,11-12H2/t13-,16+,17-,18+,19+,20-/m0/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)-6-[[(3~{S})-piperidin-3-yl]methoxy]oxane-3,4-diol |
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 | | A1IDZ | | Name: | [[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C13 H17 N2 O14 P3 Se | | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3 | | InChi: | InChI=1S/C13H17N2O14P3Se/c16-8-4-11(15-5-7(10-2-1-3-33-10)12(17)14-13(15)18)27-9(8)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-3,5,8-9,11,16H,4,6H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t8-,9?,11-/m0/s1 | | Definition date: | 2024-06-07 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | A1AWV | | Name: | Pexmetinib | | Formula: | C31 H33 F N6 O3 | | SMILES: | OCCn1ncc2cc(ccc21)Oc1ccc(F)cc1CNC(=O)Nc1cc(nn1c1ccc(C)cc1)C(C)(C)C | | InChi: | InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40) | | Synonyms: | N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea | | Definition date: | 2024-07-08 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea |
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 | | A1A6A | | Name: | (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C24 H31 N3 O3 | | SMILES: | OC(=O)C(c1ccccc1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1 | | InChi: | InChI=1S/C24H31N3O3/c28-24(29)22(18-7-2-1-3-8-18)27-15-13-21(17-27)30-16-5-4-10-20-12-11-19-9-6-14-25-23(19)26-20/h1-3,7-8,11-12,21-22H,4-6,9-10,13-17H2,(H,25,26)(H,28,29)/t21?,22-/m0/s1 | | Definition date: | 2024-09-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
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 | | A1A6B | | Name: | (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C27 H35 N3 O3 | | SMILES: | OC(=O)C(c1ccccc1C1CC1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1 | | InChi: | InChI=1S/C27H35N3O3/c31-27(32)25(24-9-2-1-8-23(24)19-10-11-19)30-16-14-22(18-30)33-17-4-3-7-21-13-12-20-6-5-15-28-26(20)29-21/h1-2,8-9,12-13,19,22,25H,3-7,10-11,14-18H2,(H,28,29)(H,31,32)/t22-,25+/m1/s1 | | Definition date: | 2024-09-11 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
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 | | YMZ | | Name: | (11R,12S)- Mefloquine | | Formula: | C17 H16 F6 N2 O | | SMILES: | O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 | | Definition date: | 2017-01-30 | | Last modified: | 2024-11-05 | | Release date: | 2017-03-01 | | Identifier: | (~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol |
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 | | XE9 | | Name: | [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine | | Formula: | C20 H21 Cl N4 | | SMILES: | NCc1cccc(c1)c2ccc3nc(N4CCNCC4)c(Cl)cc3c2 | | InChi: | InChI=1S/C20H21ClN4/c21-18-12-17-11-16(15-3-1-2-14(10-15)13-22)4-5-19(17)24-20(18)25-8-6-23-7-9-25/h1-5,10-12,23H,6-9,13,22H2 | | Definition date: | 2023-10-31 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine |
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 | | XFB | | Name: | SKI-O-592 | | Formula: | C25 H27 N7 O3 | | SMILES: | Cn1cc(C(=O)C2CC2)c3cc(Nc4nccc(n4)n5cc(CN6C[CH](O)CO6)c(C)n5)ccc13 | | InChi: | InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1 | | Synonyms: | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4S)-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4~{S})-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
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 | | XI6 | | Name: | DZNep | | Formula: | C12 H14 N4 O3 | | SMILES: | Nc1nccc2n(cnc12)[CH]3C=C(CO)[CH](O)[CH]3O | | InChi: | InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1 | | Synonyms: | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol | | Definition date: | 2023-11-06 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
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