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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3-amino-4-{2-[4-(6-{3-amino-4-[2-(2-nitro-4-sulfanylphenyl)ethyl]phenyl}hexa-1,3,5-triyn-1-yl)-2-nitrophenyl PubChem CID 102484188
Nc1cc(C#CC#CC#Cc2ccc(CCc3ccc(S)cc3N)c([N+](=O)[O-])c2)ccc1CCc1ccc(S)cc1[N+](=O)[O-] -
2-(2H-1,3-dithiol-2-ylidene)-4-{6-[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]hexa-1,3,5-trien- PubChem CID 102591875
C1=CSC(=C2SC=C(/C=C/C=C/C=C/C3=CSC(=C4SC=CS4)S3)S2)S1 -
2,2 ,2 ,2 ,2 ,2 -(Benzene-1,2,3,4,5,6-hexayl)hexa[5-(4-fluorophenyl PubChem CID 102597764
Fc1ccc(-c2ccc(-c3c(-c4ccc(-c5ccc(F)cc5)s4)c(-c4ccc(-c5ccc(F)cc5)s4)c(-c4ccc(-c5ccc(F)cc5)s4)c(-c4ccc(-c5ccc(F)cc5)s4)c3-c3ccc(-c4ccc(F)cc4)s3)s2)cc1 -
diethyl 3-acetyl-1-(2- ((2S,3aR,6aR)-2-(3-chloro- 2- fluorobenzylcarbamoyl)hexa- hydrocyclopenta[b]pyrrol PubChem CID 118322244
CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)N3[C@@H]4CCC[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 -
3-acetyl-1-(2- ((2S,3aR,6aR)-2-(3-chloro- 2- fluorobenzylcarbamoyl)hexa- hydrocyclopenta[b]pyrrol- 1( PubChem CID 118322247
CC(=O)c1cn(CC(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(P(=O)(O)O)ccc12 -
[(3E)-5-[methyl-[2-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]ethyl]amino]-3-(trifluoromethyl PubChem CID 118595295
C=C(OS(=O)(=O)O)/C(=C\C(=C)N(C)CCN(C)CCn1c(=O)[nH]c2ccccc21)C(F)(F)F -
ethyl 2-[5,11,17,23,29,35-hexa-tert-butyl-20-(2-ethoxy-2-oxoethyl)-37,38,39,40,41,42-hexamethoxyheptacyclo PubChem CID 122220105
CCOC(=O)CC1c2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc(c2OC)C(CC(=O)OCC)c2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc(c2OC)Cc2cc(C(C)(C)C)cc1c2OC -
2-[2-({5,11,17,23,29,35-hexa-tert-butyl-38,40,42-trimethoxy-39,41-bis[2-(1-methyl-1H-imidazol-2-yl)ethoxy PubChem CID 122366239
COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCCc1nccn1C)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCCc1nccn1C)C2 -
2-(2H-1,3-dithiol-2-ylidene)-4-[(6-{[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]sulfanyl}hexa-2,4 PubChem CID 122374306
C(C#CCSC1=CSC(=C2SC=CS2)S1)#CCSC1=CSC(=C2SC=CS2)S1 -
(2S,4R)-1-[(2S)-2-[[2-[6-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin PubChem CID 122423118
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCC#CC#CCOc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2)C(C)(C)C)cc1 -
-((1E,3E,5E)-6-((2R,3R,3ar,4R,5R,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro(2,3-b)furan-2- PubChem CID 127027345
CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC/C=C(\C)C(=O)OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O -
4-((6-((1E,3E,5E)-6-((2R,3R,3ar,4R,5R,6as)-3,4-dihydroxy-3a,4,5-trimethyl-hexahydrofuro(2,3-b)furan-2- PubChem CID 127027346
COC(=O)/C(C)=C/COc1cc(=O)oc(/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)c1C -
3-Cyclohexene-1,2-dimethanol, 3,6-dimethyl-5-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl CAS 13828-13-2 PubChem CID 131667841
CC(=O)OCC1C(C)=CC(C=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C1COC(C)=O -
2-[6-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy PubChem CID 132130031
Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCC#CC#CCOc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2)C(C)(C)C)cc1 -
N-[5-bromo-1-(2-oxo-1,3-oxazolidin-3-yl)hexa-1,5-dien-2-yl]-N'-[(propan-2-yloxy)carbonyl](propan-2-yloxy PubChem CID 132520802
C=C(Br)CC/C(=C\N1CCOC1=O)N(NC(=O)OC(C)C)C(=O)OC(C)C -
(1S,6S,7R,8S)-7-((1E,3E)-4-((2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro PubChem CID 132523153
CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/[C@@]34OC(=O)C=C(OC)[C@]3(C)[C@H](/C=C/C=C/[C@H]3O[C@H]5O[C@H](CC)[C@](C)(O)[C@@]5(C)[C@H]3O)[C@H]4c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O -
(1R,6R,7S,8R)-7-((1E,3E)-4-((2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro PubChem CID 132523154
CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/[C@]34OC(=O)C=C(OC)[C@@]3(C)[C@@H](/C=C/C=C/[C@H]3O[C@H]5O[C@H](CC)[C@](C)(O)[C@@]5(C)[C@H]3O)[C@@H]4c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O -
1-O-(4-O,6-O-Diacetyl-2,3-dideoxy-alpha-D-erythro-hexa-2-enopyranosyl)-2-acetyl-3-deoxy-3-[4-(2-hydroxy PubChem CID 132527388
CC(=O)OC[C@H]1O[C@H](OCC(O)(Cn2cc(CC(C)O)nn2)C(C)=O)C=C[C@@H]1OC(C)=O -
[(1R,2S)-1-phenyl-1-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-yl] (2S)-2-[[(2E,4E)-3-hydroxy- PubChem CID 134301166
C=N/C(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccccc1)=C(O)\C(=C/C)OC -
(2S)-N,N,N',N'-tetramethyl-2-[[(5Z)-2-oxo-5-[[1-[(2E,4E)-6,6,6-trifluoro-2-(3,3,3-trifluoroprop-1-en- PubChem CID 136599356
C=C(/C(=C\C=C\C(F)(F)F)CN1CCC(/C=C2\SC(=O)NC2=N[C@@H](CC(=O)N(C)C)C(=O)N(C)C)CC1)C(F)(F)F