 | | 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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 | | 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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 | | A1A6H | | Name: | (2S)-{5-fluoro-2-[(2S)-oxan-2-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C29 H38 F N3 O4 | | SMILES: | O=C(O)C(c1cc(F)ccc1C1CCCCO1)N1CCC(OCCCCc2ccc3CCCNc3n2)C1 | | InChi: | InChI=1S/C29H38FN3O4/c30-21-10-12-24(26-8-2-4-17-37-26)25(18-21)27(29(34)35)33-15-13-23(19-33)36-16-3-1-7-22-11-9-20-6-5-14-31-28(20)32-22/h9-12,18,23,26-27H,1-8,13-17,19H2,(H,31,32)(H,34,35)/t23-,26+,27+/m1/s1 | | Definition date: | 2024-09-12 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-{5-fluoro-2-[(2S)-oxan-2-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
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 | | A1A6I | | Name: | (2S)-{5-fluoro-2-[(6S)-5-oxaspiro[2.5]octan-6-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid | | Formula: | C31 H40 F N3 O4 | | SMILES: | O=C(O)C(N1CCC(OCCCCc2ccc3CCCNc3n2)C1)c1cc(F)ccc1C1CCC2(CC2)CO1 | | InChi: | InChI=1S/C31H40FN3O4/c32-22-7-9-25(27-10-12-31(13-14-31)20-39-27)26(18-22)28(30(36)37)35-16-11-24(19-35)38-17-2-1-5-23-8-6-21-4-3-15-33-29(21)34-23/h6-9,18,24,27-28H,1-5,10-17,19-20H2,(H,33,34)(H,36,37)/t24-,27+,28+/m1/s1 | | Synonyms: | MORF-627 | | Definition date: | 2024-09-12 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2S)-{5-fluoro-2-[(6S)-5-oxaspiro[2.5]octan-6-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid |
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 | | A1D9D | | Name: | 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-~{N}-piperidin-1-yl-pyrazole-3-carboxamide | | Formula: | C22 H21 Cl2 I N4 O | | SMILES: | Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(I)cc3)C(=O)NN4CCCCC4 | | InChi: | InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | | Definition date: | 2024-06-19 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-~{N}-piperidin-1-yl-pyrazole-3-carboxamide |
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 | | A1EEC | | Name: | (2~{R})-2-[2-[1-[(1~{R})-1-[2,6-bis(chloranyl)-3-cyclopropyl-phenyl]ethyl]imidazo[4,5-c]pyridin-6-yl]phenyl]propanoic acid | | Formula: | C26 H23 Cl2 N3 O2 | | SMILES: | C[CH](n1cnc2cnc(cc12)c3ccccc3[CH](C)C(O)=O)c4c(Cl)ccc(C5CC5)c4Cl | | InChi: | InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1 | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | (2~{R})-2-[2-[1-[(1~{R})-1-[2,6-bis(chloranyl)-3-cyclopropyl-phenyl]ethyl]imidazo[4,5-c]pyridin-6-yl]phenyl]propanoic acid |
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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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 | | A1IDW | | Name: | [[(2~{R},3~{S},5~{R})-5-[5-(5-fluoranyl-1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C17 H18 F N2 O15 P3 | | 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)c3oc4ccc(F)cc4c3 | | InChi: | InChI=1S/C17H18FN2O15P3/c18-9-1-2-12-8(3-9)4-13(32-12)10-6-20(17(23)19-16(10)22)15-5-11(21)14(33-15)7-31-37(27,28)35-38(29,30)34-36(24,25)26/h1-4,6,11,14-15,21H,5,7H2,(H,27,28)(H,29,30)(H,19,22,23)(H2,24,25,26)/t11-,14+,15+/m0/s1 | | Definition date: | 2024-06-06 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-[5-(5-fluoranyl-1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | X9E | | Name: | (4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one | | Formula: | C29 H43 N O5 | | SMILES: | CCC(C(O)C(C)CC(CC)=CCC[C]1(CC)O[CH]1C)C(=O)N2C(C)C(OC2=O)c3ccccc3 | | InChi: | InChI=1S/C29H43NO5/c1-7-22(14-13-17-29(9-3)21(6)35-29)18-19(4)25(31)24(8-2)27(32)30-20(5)26(34-28(30)33)23-15-11-10-12-16-23/h10-12,14-16,19-21,24-26,31H,7-9,13,17-18H2,1-6H3/b22-14-/t19?,20?,21-,24?,25?,26?,29-/m1/s1 | | Definition date: | 2023-10-25 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[(~{Z})-2,6-diethyl-9-[(2~{R},3~{R})-2-ethyl-3-methyl-oxiran-2-yl]-4-methyl-3-oxidanyl-non-6-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
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 | | XQT | | Name: | VU0424465 | | Formula: | C19 H19 F N2 O2 | | SMILES: | C[CH](NC(=O)c1ccc(cn1)C#Cc2cccc(F)c2)C(C)(C)O | | InChi: | InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1 | | Synonyms: | 5-[2-(3-fluorophenyl)ethynyl]-~{N}-[(2~{R})-3-methyl-3-oxidanyl-butan-2-yl]pyridine-2-carboxamide | | Definition date: | 2023-11-08 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 5-[2-(3-fluorophenyl)ethynyl]-~{N}-[(2~{R})-3-methyl-3-oxidanyl-butan-2-yl]pyridine-2-carboxamide |
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 | | XQX | | Name: | cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone | | Formula: | C25 H30 N6 O | | SMILES: | O=C(C1CC1)N1CCN(CC1)c1ccnn2cc(cc12)c1ccc(cc1)N1CCNCC1 | | InChi: | InChI=1S/C25H30N6O/c32-25(20-1-2-20)30-15-13-29(14-16-30)23-7-8-27-31-18-21(17-24(23)31)19-3-5-22(6-4-19)28-11-9-26-10-12-28/h3-8,17-18,20,26H,1-2,9-16H2 | | Definition date: | 2023-11-08 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone |
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