CFam Chemical Families Database
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You are searching for "CFAMM00445548" in compound.

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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 CFAMM00445548
Family CFFBM18029 P2X purinoceptor 7 inhibitor N'-quinolin-5-yladamantane-1-carbohydrazide family
Superfamily CFSBM2391 P2X purinoceptor 7 and Prelamin-A/C Binder Superfamily
Class CFCBM934 Class 3984
External ID CHEMBL523540 External Source CHEMBL
PubChem CID 11955602 Functional Category Bioactive
Molecule Name N'-(2-chloroquinolin-5-yl)adamantane-1-carbohydrazide
IUPAC Name N'-(2-chloroquinolin-5-yl)adamantane-1-carbohydrazide
Synonyms AGN-PC-00IPE3;N'-(2-chloroquinolin-5-yl)adamantane-1-carbohydrazide
InChi InChI=1S/C20H22ClN3O/c21-18-5-4-15-16(22-18)2-1-3-17(15)23-24-19(25)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14,23H,6-11H2,(H,24,25)
InChiKey ROUFTXDQIIVIBB-UHFFFAOYSA-N
Formula C20H22ClN3O Molecular Weight 355.86
Cross Link CHEMBL523540
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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