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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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(2-(3-((1r,3r)-3-hydroxy-3-methyl-1-(4- methyl-4H-1,2,4-triazol-3- yl)cyclobutyl)phenyl)-6-(((1- methylcyclobutyl)amino)methyl)-4- (trifluoromethyl)isoindolin-1-one PubChem CID 168262694
Cn1cnnc1C1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)CC(C)(O)C1 -
CCC(N)CO.O=C(O)CCCCCCCC(=O)O -
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C -
Naphthalenesulfonic acid, diisononyl-, compd. with N-(2-aminoethyl)-1,2-ethanediamine (1:?) CAS 63568-27-4 PubChem CID 173943
CC(C)CCCCCCc1cc2ccccc2c(S(=O)(=O)O)c1CCCCCCC(C)C.NCCNCCN -
N-(2,6-Dichloro-4-pyridinyl)-2-[3-methyl-4-(1-methylethyl)-1-(2-propen-1-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazinecarboxamide CAS 1463912-49-3 PubChem CID 86303581
C=CCn1nc(C)c2c(C(C)C)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 -
4-((methyl-d3)amino)-1-phenyl-7- (trifluoromethyl)pyrido[2,3- d]pyrimidin-2(1H)-one CAS 2439272-27-0 PubChem CID 148686497
CNc1nc(=O)n(-c2ccccc2)c2nc(C(F)(F)F)ccc12 -
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[(1-oxopentyl)phenylamino]methyl]- CAS 862891-27-8 PubChem CID 51529932
CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1 -
4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluoro-3-methyl-phenyl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide PubChem CID 86267572
Cc1cc(-c2cn(CCN3CCC3)c([C@@H]3CCN(c4ncnc(N)c4C(N)=O)C[C@@H]3F)n2)ccc1F -
(R)-2-(2-(4-(4-(hydroxymethyl)-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)thiazol-5-yl)propan-2-ol PubChem CID 118883535
Cc1csc(-c2ccc(N3CCN(c4ncc(CO)c(C(F)(F)F)n4)[C@H](C(C)C)C3)cc2S(C)(=O)=O)n1 -
CC1(C)C[C@H]2CCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)nc3N1C2 -
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone CAS 2548283-27-6 PubChem CID 155326246
O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCCCC2)CC1 -
[3aR-(3aalpha,4alpha,6alpha,6aalpha)]-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol; (3aS,4R,6S,6aR)-6-Hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-amine CAS 155899-66-4 PubChem CID 10352168
CC1(C)O[C@@H]2[C@H](O1)[C@@H](O)C[C@H]2N -
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(Cl)cc2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O -
InChI=1/C19H12N2O8/c22-19(23)12-9-17(28-15-5-1-13(2-6-15)20(24)25)11-18(10-12)29-16-7-3-14(4-8-16)21(26)27/h1-11H,(H,22,23) CAS 173550-33-9 PubChem CID 16760376
O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1 -
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC3C=NC=N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)O)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)NC1=O)C(C)C.[Zn] -
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide CAS 1456994-27-6 PubChem CID 62061848
NCC1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 -
(R) or (S)-2-fluoro-N-[3-(1- hydroxyethyl)-7-phenylimidazo[1,2- a]pyridin-8-yl]-5-(1H-pyrazol-3-yl)-4- (trifluoromethyl)benzamide PubChem CID 122609216
CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn[nH]4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12 -
(R or S)-3-isobutyl-3-methyl- 5-(9-methyl-8-(2- methylpyrimidin-5-yl)-9H- purin-6-yl)-1,3-dihydro-2H- pyrrolo[2,3-b]pyridin-2-one PubChem CID 131964666
Cc1ncc(-c2nc3c(-c4cnc5c(c4)C(C)(CC(C)C)C(=O)N5)ncnc3n2C)cn1 -
Trans-4-(3-methoxy-4-((5-(thiophen- 2-yl)-1,3,4-oxadiazol-2- yl)carbamoyl)phenyl)cyclohexane-1- carboxylic acid PubChem CID 162506175
COc1cc(C2CCC(C(=O)O)CC2)ccc1C(=O)Nc1nnc(-c2cccs2)o1 -
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(CC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12