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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N-alpha-(2-carboxyl)benzoyl-N5-(2-fluoro-1-iminoethyl)ornithine amide PubChem CID 54669783
NC(=O)C(CCCN=C(N)CF)NC(=O)c1ccccc1C(=O)O -
(+/-)-4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(4-methyl-3-morpholinyl)-6-oxo- CAS 518047-37-5 PubChem CID 54677477
CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C -
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,12A.BETA.))- CAS 7518-17-4 PubChem CID 54678401
Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]1C2 -
1-Pyrrolidineacetamide, N-((5aR,6aS,7S,10aS)-9-(aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl)- CAS 1207283-85-9 PubChem CID 54726192
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12 -
Nc1noc2ccncc12 -
(4-(4- fluorobenzyl)piperazin- 1-yl)(6-(4- (benzyloxy)phenyl) pyridin-3-yl)methanone PubChem CID 56652712
O=C(c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1)N1CCN(Cc2ccc(F)cc2)CC1 -
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-3-phenylpropane-1,3-dione PubChem CID 56840382
CCC(C(=O)c1ccccc1)C(=O)c1ccc2c(c1)OCCO2 -
(17R)-3beta,7alpha,16xi,20alpha-Ajmalan-17,21alpha-diol--1-bromopropane (1/1) CAS 93981-29-4 PubChem CID 56841384
CCCBr.CC[C@@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O -
CCC(C)CCCC/C=C/C=C/C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)N(CCCCN)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC2CNC(N)=N2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(CO)C(=O)NC(c2cc(Cl)c(O)c(Cl)c2)C(=O)NC(=O)NC(CC2CNC(N)=N2)C(=O)NC(C)C(=O)NC(c2ccc(O)cc2)C(=O)OC1C.O -
CHEMBL1945556 PubChem CID 56946086
CN1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)C2C#N -
(7R,9E)-17-{[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl}heptadec-9-en-7-yl 2-phenylacetate PubChem CID 57340639
CCCCCC[C@H](C/C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 -
NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one PubChem CID 57509343
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO -
NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid CAS 256526-12-2 PubChem CID 57509358
CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 -
2',17-Dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione PubChem CID 57509529
CC1NC2N(C1=O)c1ccccc1C21CC2C(=O)N(C)C(O1)c1nc3ccccc3c(=O)n12 -
(z)-3-(3-(2-methylstyryl)phenyl)propan-1-amine PubChem CID 57766510
Cc1ccccc1/C=C\c1cccc(CCCN)c1 -
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol CAS 39262-14-1 PubChem CID 57777196
CC(C)=CCC[C@](C)(OC1OC(CO)C(O)C(O)C1O)C1CC[C@]2(C)C1C(O)CC1[C@@]3(C)CCC(O)C(C)(C)C3CC[C@]12C -
N-(5-(4-(piperidine-1- carbonyl(phenyl)- [1,2,4]triazolo[1,5-a]pyridin-2- yl)cyclopropanecarboxamide PubChem CID 58374803
O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3)n2n1)C1CC1 -
Cytidine, 5'-deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-[(pentyloxy)carbonyl]-; 5'-Deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Pentyl [1-[5-Deoxy-3-O-(5-deoxy-alpha-D-ribofuranosyl)-beta-D-ribofuranosyl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate CAS 1262133-68-5 PubChem CID 58434488
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O)cc1F -
1-(3,4-Difluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid [4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethyl]-amide PubChem CID 59362681
O=C(NCc1cc(-c2c[nH]c3ncccc23)cs1)c1cccn(Cc2ccc(F)c(F)c2)c1=O -
(S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-methoxyacetamide CAS 202591-04-6 PubChem CID 59569002
CONC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21