CFam Chemical Families Database
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You are searching for "CFAMM00228495" 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 CFAMM00228495
Family CFFID1121 Voltage-dependent T-type calcium channel subunit alpha-1I Ligand KYS-05056 Family
Superfamily CFSID910 Voltage-dependent T-type calcium channel subunit alpha-1I Ligand KYS-05056 Superfamily
Class CFCID105 Class 1455
External ID CHEMBL362667 External Source CHEMBL
PubChem CID 25112468 Functional Category Bioactive
Molecule Name kys05047
IUPAC Name tert-butyl N-[5-[4-[2-(benzylamino)-2-oxoethyl]-2-(4-phenylanilino)-4H-quinazolin-3-yl]pentyl]carbamate
Synonyms CHEBI:405356;KB-274250;839672-57-0
InChi InChI=1S/C39H45N5O3/c1-39(2,3)47-38(46)40-25-13-6-14-26-44-35(27-36(45)41-28-29-15-7-4-8-16-29)33-19-11-12-20-34(33)43-37(44)42-32-23-21-31(22-24-32)30-17-9-5-10-18-30/h4-5,7-12,15-24,35H,6,13-14,25-28H2,1-3H3,(H,40,46)(H,41,45)(H,42,43)
InChiKey IOVUWPHJDGHLAZ-UHFFFAOYSA-N
Formula C39H45N5O3 Molecular Weight 631.81
Cross Link CHEMBL362667
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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