CFam Chemical Families Database
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You are searching for "CFAMM00412544" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00412544
Family CFFBM11906 Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor AGN-PC-00AVLQ family
Superfamily CFSBM563 Corticosteroid 11-beta-dehydrogenase isozyme 1 and Lethal factor Binder Superfamily
Class CFCCD147 Class 960
External ID CHEMBL2380646 External Source CHEMBL
PubChem CID 73348835 Functional Category Bioactive
Molecule Name 4-[5-(4-acetylpiperazin-1-yl)pyridin-2-yl]-N-(5-hydroxy-2-adamantyl)-2,3-dihydroquinoxaline-1-carboxamide
IUPAC Name 4-[5-(4-acetylpiperazin-1-yl)pyridin-2-yl]-N-(5-hydroxy-2-adamantyl)-2,3-dihydroquinoxaline-1-carboxamide
Synonyms
InChi InChI=1S/C30H38N6O3/c1-20(37)33-8-10-34(11-9-33)24-6-7-27(31-19-24)35-12-13-36(26-5-3-2-4-25(26)35)29(38)32-28-22-14-21-15-23(28)18-30(39,16-21)17-22/h2-7,19,21-23,28,39H,8-18H2,1H3,(H,32,38)/t21?,22?,23?,28-,30-
InChiKey VANVYRKGPFYCRZ-RLOPOPLLSA-N
Formula C30H38N6O3 Molecular Weight 530.66
Cross Link CHEMBL2380646
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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