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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acetic acid;(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid CAS 79220-27-2 PubChem CID 90472456
CC(=O)O.C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O -
[Al].[Sm+3] -
[Bi].[Li+] -
2-N-[(1R)-1-cyclopropylethyl]-4-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine PubChem CID 117817140
CC(Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)c1cccc(C(F)(F)F)c1 -
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide PubChem CID 117870063
CC(C)(C)c1nc(N2CCN(CCCCNC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc(C(F)(F)F)n1 -
1-[3-(1-methyl-1H- imidazol-2- yl)phenyl]-3-(2- phenylimidazo[1,2- a]pyridin-3-yl)urea PubChem CID 117967932
Cn1ccnc1-c1cccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 -
1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-2-(4-(isoquinolin-6-yl)phenyl)-4,4-dimethyl-1H-imidazol-5(4H)-one PubChem CID 118125506
CC1(C)N=C(c2ccc(-c3ccc4cnccc4c3)cc2)N(CC2CN(C(=O)C3CC3)C2)C1=O -
6-((3-oxopiperazin-1-yl)- methyl)-2-(4-(4-(trifluoro- methyl)phenoxy)phenyl)pyrimidine- 4-carboxamide PubChem CID 118166472
NC(=O)c1cc(CN2CCNC(=O)C2)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 -
3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarbamoyl)-4- fluoropyrrolidin-1-yl)-2- oxoethyl)-1H-indol-6- yl(ethyl)phosphinic acid PubChem CID 118322268
CCP(=O)(O)c1ccc2c(C(C)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 -
1-(2-((1R,3S,5R)-3-((2'-Chloro-2-fluoro-[1,1'-biphenyl]-3-yl)carbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)-5-(pyrimidin-2-ylethynyl)-1H-indazole-3-carboxamide PubChem CID 118322937
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(C#Cc3ncccn3)cc12 -
(2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (2-(pyridin-2- yl)isoindolin-4- yl)pyrrolidine-2- carboxamide PubChem CID 118335890
CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cccc3c2CN(c2ccccn2)C3)c2ccc(Nc3cncnc3)cc12 -
2-fluoro-N-(2-methyl-4- phenylpyrimidin-5-yl)-5-(1- methyl-1H-pyrazol-3-yl)-4- (trifluoromethyl)benzamide PubChem CID 118392508
Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1 -
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)NC1=O)C(C)C -
Cyclobutyl-{5-(1-methyl-1H-pyrazol-3-yl)-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyrimidin-4-yl}-amine PubChem CID 121347894
Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC4CCC4)n3)c2)cn1 -
4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxylic acid (benzo [1,3] dioxol-5-ylmethyl)-amide PubChem CID 121406300
COCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2c(Cl)cccc21 -
(2S,3S,4S)-3-(3',4'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-cyano-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide CAS 2057420-29-6 PubChem CID 121596187
CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(C(F)(F)F)c(C(F)(F)F)c3)cc2)[C@H]1CO -
8-[3-[4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxybenzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one PubChem CID 122516876
NCc1cc(Oc2cccc(C(=O)N3CCC4(CC3)CNC(=O)O4)c2)nc(C(F)(F)F)c1 -
4-(4-Fluorophenyl)-5-[1-[2-(trifluoromethyl)pyridin-4-yl]pyrrolidin-3-yl]oxypyridine-2-carbonitrile PubChem CID 122539718
N#Cc1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)C2)cn1 -
[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl][4-(pyrimidin-2-yl)piperazin-1-yl]methanone PubChem CID 122589768
Cn1cc(-c2nc(N3CCOCC3)c3[nH]c(C(=O)N4CCN(c5ncccn5)CC4)nc3n2)cn1 -
Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)C1OC2c2ccc(Cn3cc(Br)cn3)cc21