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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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8-Quinolinesulfonamide, N-(4-((4-(cyclopropylmethyl)-1-piperazinyl)carbonyl)phenyl)- CAS 1260075-17-9 PubChem CID 59634741
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1 -
1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxylic acid PubChem CID 59895865
Nc1nc(-n2cc(C(=O)O)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O -
1-{3-(4-cyanophenyl)-2-[2- (1H-imidazol-4-yl)ethyl]-1- oxo-1,2,3,4- tetrahydroisoquinolin-7-yl}-3- [4-(methylsulfanyl)phenyl]urea PubChem CID 60162953
CSc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCc2cnc[nH]2)C(c2ccc(C#N)cc2)C3)cc1 -
CNCC1(c2ccc(Cl)c(Cl)c2)CCC1 -
COc1cc(OC)cc(C(=O)NC2CCC(=O)NC2=O)c1 -
PMID25666693-Compound-41 PubChem CID 66644203
C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 -
(2S,5R)-1-(3-chloro-5-methoxybenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid PubChem CID 67257758
COc1cc(Cl)cc(C(=O)N2[C@@H](c3ccccc3Cl)CC[C@H]2C(=O)O)c1 -
CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O -
N-[(3S)-1-Methyl-2-oxo-5-phenyl 2,3-dihydro-1H-1,4-benzodiazepine-3beta-yl]-Nalpha-(alpha-oxo-3,5-difluorophenethyl)-D-alaninamide CAS 504428-17-5 PubChem CID 68274344
C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O -
Oc1cccc(-c2cncc(NCc3ccoc3)c2)c1 -
N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl]-1,3-thiazol-4-yl}-1-methyl-1H-pyrazole-4-carboxamide PubChem CID 68968971
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccc(Cl)cn1 -
ethyl(12RS,13aRS,13bRS)-13a-ethyl2,3,5,6,12,13,13a,13b-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (dihydrovinpocetine). CAS 57517-54-1 PubChem CID 70394372
CCOC(=O)[C@@H]1C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 -
(3aS,3bS,9aR,9bS)-11a-Ethyl-10-methylidene-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthrene-1,7(3bH)-dione CAS 54024-17-8 PubChem CID 70700393
C=C1CC2(CC)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12 -
N-(2''-chloro-5''-(trifluoromethyl)- [1,1''-biphenyl]-4-yl)-4- methylnicotinamide PubChem CID 71010186
Cc1ccncc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1 -
2-amino-N-[2-[[2-[3-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]propylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide CAS 187852-63-7 PubChem CID 71300577
CCc1c2c(nc3ccc(OCCCNC(=O)CNC(=O)CNC(=O)CN)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC -
(E)-N-[4-[2-methoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide PubChem CID 71465889
COc1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 -
7,8-Dichloro-4-(4-methyl-1-piperazinyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine CAS 1429374-76-4 PubChem CID 71547762
CN1CCN(c2nc3nc(Cl)c(Cl)cc3n3cnnc23)CC1 -
(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(1H-indole-3-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid PubChem CID 71566654
CC(C)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nc(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)co1 -
tert-butyl 5-((2-(1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)ethyl)carbamoyl)thiophene-2-carboxylate PubChem CID 71654771
CC(C)(C)OC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 -
ACETAMIDE, 2-AMINO-N-(5-(5-OXO-7-(1-PIPERAZINYL)-5H-1,3,4-THIADIAZOLO(3,2- A)PYRIMIDIN-2-YL)-3-PYRIDINYL)- CAS 1448313-27-6 PubChem CID 71668132
NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1