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。
-
N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxy-pyridine-2-carboxamide CAS 3131-03-1 PubChem CID 14974
CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(N(C)C)cc2)N(C)C(=O)C2CCCN2C1=O -
4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide CAS 18417-89-5 PubChem CID 14978
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 -
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, pentahydrate, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]- CAS 1695-77-8 PubChem CID 15541
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O -
(S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide CAS 37517-28-5 PubChem CID 37768
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O -
8-ethenyl-1-hydroxy-10,12-dimethoxy-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)naphtho(1,2-c)isochromen-6-one CAS 65357-64-4 PubChem CID 53802
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c21 -
CC[C@@H](C(=O)O)[C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C -
(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione CAS 82664-20-8 PubChem CID 71260
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O -
12-(Butan-2-yl)-19-hexyl-5,8,11,14-tetrahydroxy-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13-tetraene-2,17-dione CAS 67076-74-8 PubChem CID 115071
CCCCCCC1OC(=O)CNC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C1C -
(2R,3S,4R,5R,6S)-5-Amino-6-(((1R,2S,3S,4R,6S)-4,6-diamino-3-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-2-((R)-1-hydroxyethyl)tetrahydro-2H-pyran-3,4-diol CAS 49863-47-0 PubChem CID 123865
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O -
((2R,3S,4R,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl sulfamate CAS 66522-52-9 PubChem CID 125623
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O -
2,3-dichloro-5-[(4S)-6,8-dichloro-2,4-dihydro-1,3-benzodioxin-4-yl]-4-nitro-1H-pyrrole CAS 105888-54-8 PubChem CID 129138
O=[N+]([O-])c1c([C@H]2OCOc3c(Cl)cc(Cl)cc32)[nH]c(Cl)c1Cl -
C=CC1=CC(O)OC1=O -
Benzoic acid, 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl- CAS 76191-52-1 PubChem CID 156388
COc1cc(C)cc(C(=O)O)c1C1=CC(=O)c2c(O)cccc2C1=O -
(2S)-2-amino-N-[[(1S,2S,10R,12S,13R)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide CAS 87578-99-2 PubChem CID 160294
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)[C@H](C)N)N1[C@@H](O)[C@H]3Cc4cc(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C -
(4S)-4alpha,5alpha-Dihydroxy-5-(hydroxymethyl)-2-cyclopentene-1-one CAS 49644-25-9 PubChem CID 162082
O=C1C=C[C@H](O)[C@@]1(O)CO -
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-(1-methylethyl)-7-oxo-, (5R-cis)- CAS 72615-19-1 PubChem CID 166290
CC(=O)NCCSC1=C(C(=O)O)N2C(=O)[C@H](C(C)C)[C@H]2C1 -
CN([O-])C=S.CN([O-])C=S.[Cu+2] -
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-(6-alpha,7-alpha,7(R*)))- CAS 41849-38-1 PubChem CID 170580
CO[C@@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]21 -
O=CN(O)C/C=C/P(=O)(O)O -
NC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO