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-methyl-2-[(3Z)-2-methyl-3-(5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-2(3H)-ylidene)-1-propenyl]- PubChem CID 126959857
CC(=Cc1sc2ccc(C)cc2[n+]1CCCS(=O)(=O)O)/C=C1\Oc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)O.CCN(CC)CC -
Phosphoric acid 12-[(R)-2-[(R)-2-amino-3-(1H-indol-2-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino PubChem CID 44320612
N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1Cl -
Phosphoric acid 12-[(S)-2-[(S)-2-amino-3-(1H-indol-2-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino PubChem CID 44320693
N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1Cl -
Phosphoric acid 12-[(S)-2-[(R)-2-amino-3-(1H-indol-2-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino PubChem CID 44320695
N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1Cl -
Phosphoric acid 12-[(R)-2-[(R)-2-acetylamino-3-(1H-indol-2-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino PubChem CID 44320851
CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(=O)(O)Oc1ccccc1Cl -
1-(2-{2-[3-(3H-Imidazol-4-yl)-2-(3-methyl-butyrylamino)-propionylamino]-propionylamino}-acetyl)-pyrrolidine PubChem CID 44387378
CCC(C)[C@H](NC(=O)[C@@H]1CCN(C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1)C(=O)NCc1ccccc1 -
1-Piperazineethanol, 4-[3-[5,5-dioxido-2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- (9CI); 1-Piperazineethanol CAS 1476-79-5 PubChem CID 72941445
O=S1(=O)c2ccccc2N(CCCN2CCN(CCO)CC2)c2cc(C(F)(F)F)ccc21 -
Formic acid compound with 3-[2-({3-[2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino PubChem CID 86613005
NS(=O)(=O)c1cccc(CCOCc2cccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1.O=CO -
Chromate(1-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-(1-methylethyl CAS 81361-04-8 PubChem CID 91809025
CC(C)N.CC(C)NS(=O)(=O)c1ccc(O)c(N=Nc2c(O)ccc3ccccc23)c1.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc(S(=O)(=O)NC(C)C)ccc1O.[Cr].[H+] -
(Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-{hydroxy-[4-(2H-tetrazol-5-yl)-phenyl]-methyl}-phenyl)-acrylonitrile PubChem CID 91932861
N#CC(C(=N)Sc1ccccc1N)c1cccc(C(O)c2ccc(-c3nn[nH]n3)cc2)c1 -
(betaS,deltaR)-2-(4-fluorophenyl)-ss,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl] CAS 887196-25-0 PubChem CID 92135132
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)[O-].[Ca+2] -
(R)-N-((S)-3-(3,4- dihydroisoquinolin- 2(1H)-yl)-2- hydroxypropyl)- 3-(tetrahydro- 2H-pyran-4-yl) PubChem CID 142428348
O=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC[C@@H](C2CCOCC2)C1 -
alpha-Methylbenzeneethanol, alpha-Methylphenethyl alcohol; (+/-)-1-Phenylpropan-2-ol; (+/-)-alpha-Methylbenzeneethanol CAS 698-87-3 PubChem CID 94185
CC(O)Cc1ccccc1 -
[3-(3-Methyl(2-thienyl))-1,5-di(4-pyridyl)pentane-1,5-dione, 2-(2-pyridyl)pyridine, 2-(2-pyridyl)pyridine PubChem CID 489568
Cc1ccsc1C(CC(=O)c1ccncc1)CC(=O)c1ccncc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 -
(S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S CAS 111804-73-0 PubChem CID 9941750
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O.COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O -
(2'R,7aS,11aS)-11a-benzyl-N-(2-methylpyridin-3-yl)-5,6,7,7a,8,10,11,11a-octahydrospiro[benzo[c]pyrrolo PubChem CID 86671237
Cc1ncccc1NC(=O)c1cc2n(c1)CCC[C@@H]1C[C@@]3(CC[C@]21Cc1ccccc1)CO3.Cc1ncccc1NC(=O)c1cc2n(c1)CCC[C@H]1C[C@]3(CC[C@@]21Cc1ccccc1)CO3 -
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)] CAS 83949-55-7 PubChem CID 91844571
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1ccccc1C(=O)O.NCCO.[Cr].[H+] -
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)] CAS 84195-83-5 PubChem CID 119057609
CCCCCCCCCCCCN(CCO)CCO.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])ccc1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1ccc([N+](=O)[O-])cc1O.[Cr].[H+] -
(S)-4-(6-(1-amino-2-(3,5-difluorophenyl)ethyl)-5-bromopyridin-2-yl)-2-methylbut-3-yn-2-ol compound with PubChem CID 131747411
C#CC(C)(C)O.CC(C)(O)C#Cc1ccc(Br)c([C@@H](N)Cc2cc(F)cc(F)c2)n1 -
(1S,2S)N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]-1H-pyrazol PubChem CID 135344812
NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1