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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3,5-Dihydroxy-2,6,6,10,14-pentamethyl-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadec-12(17)-en-16-one PubChem CID 23986015
CC1CC(=O)C2=C(O1)OC1(C)CCC3C(C)(C)C(O)CC(O)C3(C)C1C2 -
NCGC00179722-03_C26H30N2O8_Oxayohimban-21-one, 19,20-didehydro-16-ethenyl-17-(beta-D-glucopyranosyloxy)-, (16alpha)- PubChem CID 24123445
C=C[C@H]1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21 -
COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1 -
N-[(2S,3R,4S,5R,6R)-3-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-2-(methylsulfanyl)oxan-4-yl]-4-methylbenzamide PubChem CID 24776275
CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OCc1ccccc1 -
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid CAS 916482-17-2 PubChem CID 24816385
CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O -
N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)-5-(ethylamino)benzamide PubChem CID 24878946
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(N2CCCCS2(=O)=O)c1 -
2-methyl-7-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)-4H-chromen-4-one PubChem CID 24882194
Cc1cc(Nc2ccc3c(=O)cc(C)oc3c2)n2ncnc2n1 -
3-N,3-N-diethyl-2-N-(thiophene-3-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido PubChem CID 24901563
CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2c1CCCC2 -
(3R,5R)-7-(5-{[4-(dimethylcarbamoyl)phenyl]carbamoyl}-3,4-bis(4-fluorophenyl)-1-methyl-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoic acid PubChem CID 24901672
CN(C)C(=O)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)O)n2C)cc1 -
3-((2R)-2,3-dihydroxypropyl)-6-fluoro-5-((2-fluoro-4-iodophenyl)amino)-8-methyl-3H,4H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione CAS 1035555-63-5 PubChem CID 24963252
Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 -
C=CCC1(O)C(OC)=CC(=O)C=C1OC -
8-[(adamantan-1-ylcarbamoyl)amino]octanoic acid PubChem CID 25093350
O=C(O)CCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 -
COc1cccc(-c2c[nH]c(=S)[nH]2)c1 -
(1S,3R)-N-hydroxy-4-oxo-6-(4-{[2-(trifluoromethyl)quinolin-4-yl]methoxy}phenyl)-5-azaspiro[2.4]heptane-1-carboxamide PubChem CID 25138234
O=C(NO)[C@H]1C[C@@]12CC(c1ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc1)NC2=O -
(2S)-({[2-({[(4-butyl-2,6-dimethylphenyl)amino]carbonyl}amino)-4-fluorophenyl]carbonyl}amino)(cyclohexyl)ethanoic acid PubChem CID 25218534
CCCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C(=O)O)C2CCCCC2)c(C)c1 -
5-(2-Furanyl)-N-(1-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxamide CAS 1241494-17-6 PubChem CID 32608144
Cn1cc(NC(=O)c2cc(-c3ccco3)on2)cn1 -
N-[2-[cyclohexyl(ethyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide PubChem CID 44143500
CCN(c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1)C1CCCCC1 -
Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine (1:4) CAS 94159-17-8 PubChem CID 44145820
Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=P(O)(O)OP(=O)(O)O -
Adipic acid, compound with 2-(dimethylamino)ethyl methacrylate (1:2) CAS 93804-17-2 PubChem CID 44149009
C=C(C)C(=O)OCCN(C)C.C=C(C)C(=O)OCCN(C)C.O=C(O)CCCCC(=O)O -
Thiocyanic acid, compound with (R-(R,S))-alpha-(1-(methylamino)ethyl)benzene-1-methanol (1:1) CAS 13900-17-9 PubChem CID 44149060
CN[C@@H](C)[C@H](O)c1ccccc1.N#CS