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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4-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-2-amine PubChem CID 46926513
Clc1cc(Cl)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 -
N-(5-CHLORO-2-METHYLPHENYL)-5-[1-CYCLOPENTYL-4-(4-FLUOROPHENYL)-1H-IMIDAZOL-5-YL]FURAN-2-CARBOXAMIDE PubChem CID 53115208
Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 -
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (11.beta.,16.beta.)-, compound with N,N'-bis(phenylmethyl)-1,2-ethanediamine (1:1) CAS 40006-49-3 PubChem CID 56842499
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O.c1ccc(CNCCNCc2ccccc2)cc1 -
(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoic acid PubChem CID 71817810
NCCCC[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1)C(=O)O -
10-OBn-7alpha-F-gingkolide B PubChem CID 73755010
CC1C(=O)O[C@H]2C(O)C34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@@H]5F)[C@@]12O -
13-ethyl-17-ethynyl-11-methylidene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol (non-preferred name) CAS 70805-84-4 PubChem CID 74603238
C#CC1(O)CCC2C3CCC4=CC(O)CCC4C3C(=C)CC21CC -
1-[1-(Oxolane-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea PubChem CID 118409164
O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1 -
(2'R,4AR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR)-4a,6a-dimethyl-4,4a,4b,5,6,6a,7a,8,8a,8b,8c,8d,9,9a-tetradecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-7,2'-furan]-2,5'(3H,4'H)-dione CAS 90457-65-1 PubChem CID 118849716
C[C@]12CCC(=O)C=C1C1CC1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12 -
2-(methylsulfonyl)-4-((R)-3-phenyl-4-(((1r,4R)-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)benzamide PubChem CID 118883561
CS(=O)(=O)c1cc(N2CCN(CC3CCC(C(F)(F)F)CC3)[C@H](c3ccccc3)C2)ccc1C(N)=O -
2-(methylsulfonyl)-4-((S)-3-phenyl-4-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)benzamide PubChem CID 118883562
CS(=O)(=O)c1cc(N2CCN(CC3CCC(C(F)(F)F)CC3)[C@@H](c3ccccc3)C2)ccc1C(N)=O -
2-[[5-[3-(4-chlorophenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid CAS 1842340-93-5 PubChem CID 129027150
O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O -
(R)-2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide PubChem CID 137554506
COCCN(C)C(=O)c1cnc(N2CCN(c3ccc(F)c(S(C)(=O)=O)c3)C[C@H]2C(C)C)nc1C(F)(F)F -
[4-(6-Amino-pyridazin-3-yl)- piperidin-1-yl]-[5-(4-fluoro-phenoxy)- 4-methoxy-pyridin-2-yl]-methanone CAS 2311863-36-0 PubChem CID 138674835
COc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1Oc1ccc(F)cc1 -
CC1(C)C[C@@H]2CN1c1nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc1C(=O)NS(=O)(=O)c1ccn(n1)CCO2 -
1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol CAS 2488073-20-5 PubChem CID 155688637
CC(C)(O)Cn1cc(-c2nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc2C(F)(F)F)cn1 -
(R,13E,14E)-31,7-Dimethyl-17-(methylamino)-31H-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(7,5)-benzo[d]imidazolacyclononaphan-9-one PubChem CID 164970146
CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3c(c1)ncn3C)N2 -
(3R)-5,5-difluoro-16-(1-isopropylpiperidin-4-yl)-3- methyl-17,18-dihydro-2-aza-1(4,8)-pyrido[2,3- d]pyrimidina-8(4,1)-piperidina-4(1,3)- benzenacyclotridecaphan-17-one PubChem CID 169313535
CC(C)N1CCN(c2cc3c4ncnc3n(c2=O)CCCCCN2CCC(CC2)CCC(F)(F)c2cccc(c2)[C@@H](C)N4)CC1 -
(3R)-16-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)- 42,5,5-trifluoro-3-methyl-17,18-dihydro-2-aza-1(4,8)- pyrido[2,3-d]pyrimidina-7(4,1)-piperidina-4(1,3)- benzenacyclotridecaphan-17-one PubChem CID 169313706
C[C@H]1Nc2ncnc3c2cc(C2CCS(=O)(=O)CC2)c(=O)n3CCCCCCN2CCC(CC2)CC(F)(F)c2cccc1c2F -
CC(Oc1nc2c3c(c(Cl)c(-c4cccc5sc(N)c(C#N)c45)c(F)c3n1)OC[C@@H]1[C@@H]3CC[C@H](CN21)N3)[C@@]12CCCN1C[C@H](F)C2 -
Benz(g)indolo(2,3-a)quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate CAS 50-55-5 PubChem CID 5052
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC