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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[(2S,3R,4R)-3-Hydroxy-7-(1-methyl-1H-imidazol-4-yl)-4-methyl-2-(methylamino) heptanoic acid]1 [(R)-methyl-Sar]3 cyclosporin A PubChem CID 136215459
CC[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2cn(C)cn2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O -
[8-(1H-imidazol-2-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol PubChem CID 136215709
Cc1c(Cc2c(CO)nc3c(-c4ncc[nH]4)cc(N4CCOCC4)nn23)cccc1C(F)(F)F -
N-(cyclopropylmethyl)-2-(4-(4-methoxybenzoyl)piperidin-1-yl)-N-((4-methylene-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methyl)acetamide CAS 1419949-20-4 PubChem CID 136237316
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1 -
1-[4-hydroxy-2-(1-methyl-1H- pyrazol-4-yl)-1,3-thiazol-5-yl]propan- 1-one PubChem CID 136993035
CCC(=O)c1sc(-c2cnn(C)c2)nc1O -
(R)-1-(4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)-2-methylpiperazin-1-yl)ethan-1-one CAS 1997321-20-6 PubChem CID 137029447
CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C -
(5S,18R,19R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile (non-preferred name) PubChem CID 137350078
N#CC1CC=C2CC1Oc1ccc3cccc(c3c1)N1CC[C@H](NCCc3cncn3C2)C1=O -
3- (hexadecyloxy)propyl hydrogen (3-acetyl-1- (2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarbamoyl)- 4- fluoropyrrolidin-1- yl)-2-oxoethyl)-1H- indol-6- yloxy) methylphosphonate PubChem CID 137488367
C=C(C)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCS(=O)(=O)OCCCOCCCCCCCCCCCCCCCCC)ccc12 -
1,1'-(((((((2,2'-dimethyl-[1,1'-biphenyl]-3,3'-diyl) bis (methylene)) bis (oxo)) bis (2-methoxypyridine-6,3-diyl)) bis (methylene)) bis (azetanediyl)) bis (2-methylpropane-2-ol) PubChem CID 137517864
COc1nc(OCc2cccc(-c3cccc(COc4ccc(CNCC(C)(C)O)c(OC)n4)c3C)c2C)ccc1CNCC(C)(C)O -
tert-butyl (R)-3-(2-(4-(4-fluoro-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamido)azetidine-1-carboxylate PubChem CID 137554518
CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1 -
(R)-2-methyl-4-(3-(methylsulfonyl)phenyl)-2-phenyl-1-(4-(trifluoromethyl)benzyl)piperazine PubChem CID 137554553
C[C@]1(c2ccccc2)CN(c2cccc(S(C)(=O)=O)c2)CCN1Cc1ccc(C(F)(F)F)cc1 -
Synthesis of Intermediate Compound (147) PubChem CID 138106612
Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(C(C)C)SC(N)=N3)c2)cn1 -
4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide PubChem CID 138320062
C[C@@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(OC2CCC(C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F -
6-chloro-3-{[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)amino]methyl}-1,2-dihydroquinolin-2-one PubChem CID 138374249
O=C1CCc2cc(NCC3CC4CC(Cl)CCC4NC3=O)ccc2N1 -
4-(3-(4-(3H-imidazo[4,5-b]pyridin-6-yl)piperazine-1-carbonyl)-4-trifluoromethylbenzyl)phthalazin-1(2H)-one PubChem CID 138374943
O=C1NNC(Cc2ccc(C(F)(F)F)c(C(=O)N3CCN(c4cnc5nc[nH]c5c4)CC3)c2)C2CCCCC12 -
Calcium (3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoate CAS 433289-83-9 PubChem CID 138376508
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)n1CCC(O)CC(O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)n1CCC(O)CC(O)CC(=O)[O-].[Ca+2] -
4beta-Aminiotetrahydrothiophene-2beta-carboxylate PubChem CID 138403901
[NH3+][C@H]1CS[C@@H](C(=O)[O-])C1 -
5-(cyclopropylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide CAS 2154340-20-0 PubChem CID 138466901
CN(C(=O)c1ccc(OCC2CC2)cn1)C1CCC(=O)NC1=O -
tert-butyl N-{1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]pyrrolidin-3-yl}carbamate CAS 2154342-20-6 PubChem CID 138467657
CC(C)(C)OC(=O)NC1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1 -
US10807994, Compound 1.20 PubChem CID 138521544
CN1CCN(c2ccc(Nc3ncc4c(n3)OCN(c3c(Cl)cccc3Cl)C4=O)cc2CO)CC1 -
US11299493, Compound 1.69 PubChem CID 138523178
CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc2n1-c1cccc(C(C)(C)O)n1