Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C1CC[C@@H](C(=O)O)N1 -
(1R,3S)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid--2-(diethylamino)ethyl 4-aminobenzoate (1/2) CAS 96446-20-7 PubChem CID 44152810
CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.CCN(CC)CCOC(=O)c1ccc(N)cc1 -
CC(O)CNCC(C)O.CCCCCCCCCCC(=O)O -
N,N,2-Trimethylquinolin-6-amine, compound with iodomethane (1:1) CAS 71501-20-7 PubChem CID 44153172
CI.Cc1ccc2cc(N(C)C)ccc2n1 -
2H-Imidazo[4,5-b]pyridin-2-one, 6-chloro-1-(1-ethylpropyl)-1,3-dihydro-7-(2H-tetrazol-5-yl)- CAS 1178978-20-5 PubChem CID 44156981
CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3nn[nH]n3)c21 -
4-[3-[3-[4-chloro-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]morpholine PubChem CID 44263400
CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C(F)(F)F)cc4)c3)nn2CCCN2CCOCC2)C1 -
6-Hexylamino-2,4(1H,3H)-pyrimidinedione; 6-(Hexylamino)pyrimidine-2,4-diol CAS 72255-76-6 PubChem CID 44349321
CCCCCCNc1cc(=O)[nH]c(=O)[nH]1 -
N-[2-[[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide; N-[2-([2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl]amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide; Suiny CAS 739366-20-2 PubChem CID 44513473
Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1 -
4-{(S)-2-[4-(4-chloro-phenyloxy)-phenoxymethyl]-pyrrolidin-1-yl}-butyric acid CAS 929916-05-2 PubChem CID 44537807
O=C(O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 -
N-[(2,5-Dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide PubChem CID 44611141
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)cc(C(=O)N(C)Cc3nc(C)oc3C)c2)cc1 -
OCCCCCc1ccc(O)cc1O -
N-(5-(4-(thiophen-2- yl)phenyl)-[1,2,4]triazolo[1,5- a]pyridin-2- yl)cyclopropanecarboxamide PubChem CID 44626046
O=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1 -
COC1CC(O[C@H]2CC[C@@]3(C)C(=CCC4C3C(O)[C@@H](O)[C@]3(C)[C@@H](C(C)=O)CC[C@]43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(O)C2O)C(C)O1 -
NCGC00385704-01_C35H54O13_Card-20(22)-enolide, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)- PubChem CID 45360042
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4C3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O -
NCGC00347623-02_C36H56O14_Card-20(22)-enolide, 3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-1,14-dihydroxy-, (1beta,3beta,8xi,9xi)- PubChem CID 45360095
COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](O)C3)C(O)C2O)C1O -
NCGC00347358-02_C38H58O15_Card-20(22)-enolide, 1-(acetyloxy)-3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-14-hydroxy-, (1beta,3beta,8xi,9xi)- PubChem CID 45360096
COC1C(O)C(C)OC(OC2C(CO)O[C@@H](O[C@@H]3CC4CCC5C(CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)[C@H](OC(C)=O)C3)C(O)C2O)C1O -
C=C(C)C1CCC2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)CCC3(C(=O)O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 -
2-(2-(2-(2,4-dichlorophenyl)thiazol-4-yl)acetamido)acetic acid CAS 1219588-20-1 PubChem CID 49656860
O=C(O)CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 -
3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphono-propoxy)ethoxy]-2-methyl-phenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid CAS 1258595-14-0 PubChem CID 49838259
Cc1cc(OCCOCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1 -
N-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)benzenesulfonamide CAS 1271801-20-7 PubChem CID 51001515
O=S(=O)(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)c1ccccc1