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。
-
1-Ethyl-3-methyl-5-((3-(3-(sulphooxy)propyl)-3H-benzoxazol-2-ylidene)ethylidene)-2-thioxoimidazolidin CAS 34282-89-8 PubChem CID 56842791
CCN(CC)CC.CCN1C(=S)N(C)C(=O)/C1=C\C=C1\Oc2ccccc2N1CCCOS(=O)(=O)O -
Pyrazino[1,2-a]indole-2(1H)-acetic acid, decahydro-3-methyl-1,4-dioxo-a-propyl-, (aS,3S,5aS,9aS,10aR) CAS 130061-28-8 PubChem CID 59253360
CCC[C@@H](C(=O)O)N1C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C -
Pyrazino[1,2-a]indole-2(1H)-acetic acid, decahydro-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)-, ethyl ester CAS 149881-40-3 PubChem CID 59762644
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C -
Duloxetine Related Compound F (10 mg) ((S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1- CAS 1104890-90-5 PubChem CID 69033819
CNCCC(Oc1cccc2ccccc12)c1ccsc1.Cl -
1-(3-(6-Chloro-2-methylpyrimidin-4-ylamino)phenyl)- 3-(4-chloro-3-(trifluoromethyl)phenyl)urea (Compound PubChem CID 70674520
Cc1nc(Cl)cc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1 -
1-(3-Chloro-4-fluorophenyl)-3-(3-(2-methyl- 6-morpholinopyrimidin-4-ylamino)phenyl)urea (Compound 2) PubChem CID 70674635
Cc1nc(Nc2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)cc(N2CCOCC2)n1 -
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(2- methyl-6-(4-methylpiperazin-1-yl)pyrimidin- 4-ylamino PubChem CID 70674989
Cc1nc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc(N2CCN(C)CC2)n1 -
1-(3-Chloro-4-fluorophenyl)-3-(3-(methyl (2-methyl-6-morpholinopyrimidin-4-yl)amino) phenyl)urea (Compound PubChem CID 70675106
Cc1nc(N2CCOCC2)cc(N(C)c2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)n1 -
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(methyl (2-methyl-6-morpholinopyrimidin-4-yl)amino) phenyl PubChem CID 70675217
Cc1nc(N2CCOCC2)cc(N(C)c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1 -
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(methyl (2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl PubChem CID 70675477
Cc1nc(N2CCN(C)CC2)cc(N(C)c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1 -
US9522910, Table 1 Compound 8: 4-fluoro-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl PubChem CID 71131552
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(C#Cc4nnc5ccccn45)c3)cc2C(F)(F)F)CC1 -
Hydrogen bis(3-(4,5-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl) CAS 97338-26-6 PubChem CID 71300952
CCCCC(CC)CN.Cc1cc(N=N[c-]2c(C)nn(-c3cccc(S(N)(=O)=O)c3)c2=O)c(O)c([N+](=O)[O-])c1.Cc1cc(N=N[c-]2c(C)nn(-c3cccc(S(N)(=O)=O)c3)c2=O)c(O)c([N+](=O)[O-])c1.[Cr].[H+] -
Lactic acid, compound with (2alpha,6alpha,11R*)-(+-)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut CAS 94293-50-2 PubChem CID 71301373
CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C.CC(O)C(=O)O -
Carbamic acid, N-ethyl-N-methyl-, 3-ethenylphenyl ester; 3-Vinylphenyl ethyl(methyl)carbamate; N-Ethyl-N-methyl CAS 1346602-84-3 PubChem CID 71307771
C=Cc1cccc(OC(=O)N(C)CC)c1 -
2-3-[4-(3-Bromophenyl)piperazin-1-yl]propyl-1,2,4-triazolo[4,3-a]-pyridin-3(2H)-one Hydrochloride; Trazodone CAS 1263278-80-3 PubChem CID 71315237
Cl.O=c1n(CCCN2CCN(c3cccc(Br)c3)CC2)nc2ccccn12 -
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)-, hydrochloride (1:1), (3R,4S)-rel CAS 127017-74-7 PubChem CID 71315281
COc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.Cl -
1H-Benzimidazole-4-carboxylic acid, 3-[[2'-(2-ethyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2,3 CAS 1185256-03-4 PubChem CID 71315580
CCn1nnc(-c2ccccc2-c2ccc(Cn3c(=O)[nH]c4cccc(C(=O)OC(C)OC(=O)OC5CCCCC5)c43)cc2)n1 -
US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl CAS 1416241-23-0 PubChem CID 71475839
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2ccccn12 -
3‐(3‐carbamoylphenyl)‐4‐methoxyphenyl N‐ cyclohexylcarbamate (Compound PubChem CID 71506769
COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1 -
Synthesis of 6-(3-fluorophenyl)-N-((6-(2-methylpyridin-4-yl)pyridin-3-yl)methyl)isoquinolin-1-amine ( PubChem CID 71618460
Cc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ccc34)cn2)ccn1