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基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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1-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]propyl}-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, enantiomer 1 and 2 PubChem CID 134608180
CCC(c1cn(-c2ccccc2F)nn1)n1nc(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnc21 -
(R)-1-(1-(1-(3-fluorocyclobutyl)piperidin-4-yl)ethyl)-2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide PubChem CID 166177739
CSC1=CC(C)=NC(=O)C1CNC(=O)c1c(C)n([C@H](C)C2CCN(C3CC(F)C3)CC2)c2ccccc12 -
1-((1R)-1-(4-(3-(dimethylamino)azetidin-1-yl)cyclohexyl)ethyl)-2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide PubChem CID 166177825
CSC1=CC(C)=NC(=O)C1CNC(=O)c1c(C)n([C@H](C)C2CCC(N3CC(N(C)C)C3)CC2)c2ccccc12 -
8-(2-chloro-4-(2- (piperazin-1- yl)ethoxy)phenyl)- 9-(1-(4- chloropyridin-2- yl)ethyl)-6-(1- methylcyclo- propoxy)- 9H-purine (Isomer 1) PubChem CID 171791861
CC(c1cc(Cl)ccn1)n1c(-c2ccc(OCCN3CCNCC3)cc2Cl)nc2c(OC3(C)CC3)ncnc21 -
(cis)-6'-[(4-amino-1,3,5-triazin-2-yl)amino]-4-hydroxy-8'-methyl-4-(trifluoromethyl)-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione PubChem CID 135259155
Cc1cc(Nc2ncnc(N)n2)c(=O)n2c1C(=O)NC21CCC(O)(C(F)(F)F)CC1 -
Trans 2-(1-(4-oxo-3-((4- (trifluoromethyl)phenyl) amino)-4,5-dihydro-1H- pyrazolo[4,3-c]pyridin- 1-yl)-4-(phenylamino) cyclohexyl)acetonitrile PubChem CID 146012060
N#CCC1(N2NC(Nc3ccc(C(F)(F)F)cc3)C3C(=O)NCCC32)CCC(Nc2ccccc2)CC1 -
C[C@]1(c2cc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CC4(CCOCC4)C3)C[C@H]21 -
1-[1-(cyanomethyl)-4- (tetrahydropyran-4- ylamino)cyclohexyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide PubChem CID 132100621
N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2)CC1 -
1-[1-(cyanomethyl)-4-(3,3- dimethylazetidin-1- yl)cyclohexyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide; formic acid PubChem CID 132100626
N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccccc2F)CC1 -
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-[[(3R)-1-(2-cyanoacetyl)-3-piperidinyl]amino]-, ethyl ester CAS 2321488-47-3 PubChem CID 138624627
CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)CC#N)C1 -
O=c1[nH]c2ccc(C3=NO[C@@H](C[C@H]4O[C@H](CO)[C@H](O)[C@H](n5cc(-c6cc(F)c(F)c(F)c6)nn5)[C@H]4O)C3)cc2o1 -
5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide CAS 2133417-13-5 PubChem CID 130429734
CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C -
CIS-3-(1-Benzoyl-piperidin-4-yl)-1-(cyclopropyl-methyl)-8-dimethylamino-8- phenyl-1,3-diazaspiro[4.5]decan-2-one PubChem CID 130202867
CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(C(=O)c3ccncc3)CC1)C(=O)N2CC1CC1 -
Nc1ncnc2c1c(F)cn2[C@H]1C[C@@H]2OP(O)(=S)OC[C@H]3O[C@@H](N4C=NC5C(=O)NC(N)NC54)[C@H](OP(=O)(S)OC[C@H]2O1)[C@@H]3F -
4-{3-(cyanomethyl)-3-[3-(7H- pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol- 1-yl]azetidin-1-yl}-N-[2-methyl-6- (trifluoromethyl)pyridin-3-yl]piperidine- 1-carboxamide PubChem CID 67391361
Cc1nc(C(F)(F)F)ccc1NC(=O)N1CCC(N2CC(CC#N)(n3ccc(-c4ncnc5[nH]ccc45)c3)C2)CC1 -
4-{3-(cyanomethyl)-3-[3-(7H- pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrol- 1-yl]azetidin-1-yl}-N-[3- (trifluoromethyl)pyridin-2-yl]piperidine-1- carboxamide PubChem CID 67391795
N#CCC1(n2ccc(-c3ncnc4[nH]ccc34)c2)CN(C2CCN(C(=O)Nc3ncccc3C(F)(F)F)CC2)C1 -
(1S,4R)-4-((S)-2-((R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol CAS 1402837-77-7 PubChem CID 70914212
OC1CCC([C@@H](O)C[C@@H]2c3c(F)cccc3-c3cncn32)CC1 -
4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[5-(difluoromethyl)pyridin-2-yl]benzamide CAS 1419217-95-0 PubChem CID 71227301
Cc1ccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)C5(C)COC5)C4)n4ccnc(N)c34)cc2)nc1 -
CC(c1ccc2c(c1)OCCO2)N1CCN(c2ncc(C(=O)N3CCN(C)CC3)s2)CC1 -
1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifluoromethyl) cyclobutanecarbonyl]-8- azabicyclo[3.2.1]oct-3-en- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1- yl]ethanone PubChem CID 129269776
CN1CCN(C(=O)Cn2cc(Nc3nc4c(C5=CC6CCC(C5)N6C(=O)C5CC(C(F)(F)F)C5)cccn4n3)cn2)CC1