Compound Search
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基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo PubChem CID 74982890
CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4c(n3)-c3ccc(Cl)cc3C(c3c(F)cccc3OC)=NC4)cc2OC)C(N)=O)c2cc(S(=O)(=O)O)ccc21 -
Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)-; Nicotyrine (6CI,7CI); Pyridine, 3-(1-methylpyrrol-2-yl)- (8CI CAS 487-19-4 PubChem CID 10249
Cn1cccc1-c1cccnc1 -
Boronic acid, B-[(1R)-3-methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl CAS 1132709-15-9 PubChem CID 59476170
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O -
(1S,2S)N-(8-amino-6-(4-methyl-2-(pyrrolidin-1-yl)pyridin-3-yl)isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol PubChem CID 135343300
Cc1ccnc(N2CCCC2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1 -
(1S,2S)N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)pyridin-3-yl]-2,7-naphthyridin-3-yl]-2-(1-methyl PubChem CID 135344559
Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1 -
((R)-3-methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid compound with PubChem CID 163197275
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O.CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O -
(R)-2-Acetamido-3-(((S)-1-hydroxybut-3-en-2-yl)thio)propanoic acid compound with (R)-2-acetamido-3-(( PubChem CID 168451140
C=C[C@@H](CO)SC[C@H](NC(C)=O)C(=O)O.C=C[C@H](O)CSC[C@H](NC(C)=O)C(=O)O -
Preparation of (R)-1-(2,5-difluoropyridin-3-yl)ethyl (4-(5-((1r,3R)-3-cyano-3-methoxycyclobutane-1-carboxamido PubChem CID 162377703
COC1(C#N)CC(C(=O)Nc2cnc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cc(F)cnc3F)nc2)C1 -
(1R,2S)-4-(Dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol compound PubChem CID 138958309
COc1nc2ccccc2cc1[C@@H](c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12.COc1nc2ccccc2cc1[C@H](c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12 -
B (EP); Propoxyphene USP Related Compound B; Propoxyphene USP RC B; (1S,2R)-1-Benzyl-3-(dimethylamino CAS 14804-83-2 PubChem CID 129318380
CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl -
2(1H)-Pyrimidinone, 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-; 2(1H)-Pyrimidinone, 4 CAS 134680-32-3 PubChem CID 73339
Nc1ccn([C@H]2CS[C@@H](CO)O2)c(=O)n1 -
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 -
B (EP); Acebutolol USP Related Compound B; Acebutolol USP RC B; N-[3-Acetyl-4-[(2RS)-2-hydroxy-3-[(1- CAS 69796-04-9 PubChem CID 50893
CC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl -
B (EP); Flavoxate USP Related Compound C; Flavoxate USP RC C; 3-Methyl-flavone-8-carboxylic Acid Ethyl CAS 35888-94-9 PubChem CID 19972541
CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 -
(3RS)-3-(4-Chloro-phenyl)-N-methyl-3-(pyridin-2-yl)propan-1-amine Maleate; Chlorphenamine Maleate Imp CAS 22630-25-7 PubChem CID 46781155
CNCCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O -
3H-1,2,4-Triazol-3-one, 5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl CAS 1148113-53-4 PubChem CID 135925275
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 -
Piperidinium, 1-[(2ss,3a,5a,16ss,17ss)-17-(acetyloxy)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl CAS 73319-13-8 PubChem CID 11849103
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C.[Br-] -
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+] -
3-(5-methoxy-2-{(1E)-2-[(Z)-(5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-butenyl PubChem CID 126959862
CCC(/C=C1\Sc2ccc(OC)cc2N1CCCS(=O)(=O)O)=C\c1sc2cc(OC)c3ccsc3c2[n+]1CCCS(=O)(=O)O.CCN(CC)CC -
1-(1-(2,6-difluorobenzyl)-1H-pyrrol-3-yl)-2-phenylethan-1-one (Compound 2) & 1-(1-(2,6-difluorobenzyl PubChem CID 164595791
O=C(c1ccn(Cc2c(F)cccc2F)c1)C(Cc1c(F)cccc1F)c1ccccc1