 | | Y7H | | Name: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | | Formula: | C18 H22 N4 O | | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23 | | InChi: | InChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1 | | Definition date: | 2023-01-10 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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 | | Y82 | | Name: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | | Formula: | C17 H20 N4 O | | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23 | | InChi: | InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1 | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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 | | WEZ | | Name: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine | | Formula: | C8 H16 N4 O3 | | SMILES: | O=CC(N)CCCNC(=N)NC(O)C=O | | InChi: | InChI=1S/C8H16N4O3/c9-6(4-13)2-1-3-11-8(10)12-7(15)5-14/h4-7,15H,1-3,9H2,(H3,10,11,12)/t6-,7-/m0/s1 | | Definition date: | 2022-09-06 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine |
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 | | ZVM | | Name: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione | | Formula: | C22 H21 N3 O2 | | SMILES: | O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1 | | InChi: | InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1 | | Definition date: | 2023-04-06 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione |
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 | | UCH | | Name: | 1-pyridin-4-ylpiperidine-4-carboxylic acid | | Formula: | C11 H14 N2 O2 | | SMILES: | OC(=O)C1CCN(CC1)c2ccncc2 | | InChi: | InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15) | | Definition date: | 2023-05-26 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 1-pyridin-4-ylpiperidine-4-carboxylic acid |
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 | | VLK | | Name: | (2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide | | Formula: | C19 H35 N3 O4 S | | SMILES: | CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS | | InChi: | InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide |
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 | | X0F | | Name: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N5 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O | | InChi: | InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2023-05-25 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) |
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 | | X0O | | Name: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H18 N3 O14 P3 | | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N | | InChi: | InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | | Definition date: | 2023-05-25 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | VOT | | Name: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide | | Formula: | C31 H44 N6 O6 | | SMILES: | CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1 | | InChi: | InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1 | | Definition date: | 2023-03-22 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide |
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 | | VOX | | Name: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide | | Formula: | C35 H52 N6 O6 | | SMILES: | C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O | | InChi: | InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1 | | Definition date: | 2023-03-22 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide |
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 | | V9U | | Name: | 3-azanyl-6-chloranyl-isoindol-1-one | | Formula: | C8 H5 Cl N2 O | | SMILES: | NC1=NC(=O)c2cc(Cl)ccc12 | | InChi: | InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12) | | Definition date: | 2023-09-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-azanyl-6-chloranyl-isoindol-1-one |
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 | | KW3 | | Name: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | | Formula: | C30 H36 N O11 P | | SMILES: | CCOC[CH](COC(=O)CCc1ccccc1OCc2cccc(Oc3ccccc3)c2)O[P](O)(=O)OC[CH](N)C(O)=O | | InChi: | InChI=1S/C30H36NO11P/c1-2-37-19-26(42-43(35,36)40-21-27(31)30(33)34)20-39-29(32)16-15-23-10-6-7-14-28(23)38-18-22-9-8-13-25(17-22)41-24-11-4-3-5-12-24/h3-14,17,26-27H,2,15-16,18-21,31H2,1H3,(H,33,34)(H,35,36)/t26-,27+/m1/s1 | | Definition date: | 2022-10-21 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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 | | K8C | | Name: | 2-methylsulfanylpyrimidine-4-carbaldehyde | | Formula: | C6 H6 N2 O S | | SMILES: | CSc1nccc(C=O)n1 | | InChi: | InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3 | | Definition date: | 2022-09-12 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-methylsulfanylpyrimidine-4-carbaldehyde |
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 | | 9KI | | Name: | methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | | Formula: | C28 H29 F N10 O2 | | SMILES: | COC(=O)N[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | | InChi: | InChI=1S/C28H29FN10O2/c1-28(35-27(40)41-3,21-4-6-23(29)7-5-21)22-14-30-26(31-15-22)38-10-8-37(9-11-38)25-24-12-19(17-39(24)34-18-32-25)20-13-33-36(2)16-20/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1 | | Definition date: | 2023-07-14 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate |
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 | | 9OO | | Name: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine | | Formula: | C28 H31 F N10 | | SMILES: | CCN[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | | InChi: | InChI=1S/C28H31FN10/c1-4-33-28(2,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)35-19-32-26)21-14-34-36(3)17-21/h5-8,13-19,33H,4,9-12H2,1-3H3/t28-/m0/s1 | | Definition date: | 2023-07-14 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine |
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 | | 9VV | | Name: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | | Formula: | C28 H29 F N10 O | | SMILES: | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(C)=O)c6ccc(F)cc6)c3c2 | | InChi: | InChI=1S/C28H29FN10O/c1-19(40)35-28(2,22-4-6-24(29)7-5-22)23-14-30-27(31-15-23)38-10-8-37(9-11-38)26-25-12-20(17-39(25)34-18-32-26)21-13-33-36(3)16-21/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide |
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 | | MXV | | Name: | 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine | | Formula: | C24 H22 N4 O3 | | SMILES: | COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45 | | InChi: | InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27) | | Definition date: | 2023-01-06 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine |
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 | | N59 | | Name: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid | | Formula: | C23 H21 Cl F N3 O4 S | | SMILES: | OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1 | | InChi: | InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30) | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid |
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 | | N5X | | Name: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid | | Formula: | C26 H26 Cl N3 O3 | | SMILES: | Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O | | InChi: | InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33) | | Definition date: | 2023-01-11 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid |
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 | | 9WU | | Name: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide | | Formula: | C29 H29 F N10 O | | SMILES: | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(=O)C=C)c6ccc(F)cc6)c3c2 | | InChi: | InChI=1S/C29H29FN10O/c1-4-26(41)36-29(2,22-5-7-24(30)8-6-22)23-15-31-28(32-16-23)39-11-9-38(10-12-39)27-25-13-20(18-40(25)35-19-33-27)21-14-34-37(3)17-21/h4-8,13-19H,1,9-12H2,2-3H3,(H,36,41)/t29-/m0/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide |
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 | | 9XO | | Name: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine | | Formula: | C28 H31 F N10 | | SMILES: | CN(C)[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | | InChi: | InChI=1S/C28H31FN10/c1-28(35(2)3,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)34-19-32-26)21-14-33-36(4)17-21/h5-8,13-19H,9-12H2,1-4H3/t28-/m0/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine |
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 | | A0I | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid | | Formula: | C9 H17 N4 O13 P3 | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(16)11-5)8-7(15)6(14)4(25-8)3-24-27(17,18)12-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H2,10,11,16)(H2,21,22,23)(H3,12,17,18,19,20)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid |
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 | | OQK | | Name: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | | Formula: | C17 H11 F3 N4 O2 S | | SMILES: | OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F | | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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 | | OQU | | Name: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol | | Formula: | C10 H6 Br F3 N4 S | | SMILES: | FC(F)(F)c1nnc(S)n1N=Cc2cccc(Br)c2 | | InChi: | InChI=1S/C10H6BrF3N4S/c11-7-3-1-2-6(4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
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 | | ORL | | Name: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | | Formula: | C17 H11 F3 N4 O2 S | | SMILES: | OC(=O)c1cccc(C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F)c1 | | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | | Definition date: | 2022-09-18 | | Last modified: | 2023-12-22 | | Release date: | 2023-12-27 | | Identifier: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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