CFam Chemical Families Database
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You are searching for "CFAMM00168493" 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 CFAMM00168493
Family CFFCD687 GDC-0349 family
Superfamily CFSCD612 GDC-0349 Superfamily
Class CFCCD433 Class 1246
External ID CHEMBL1088972 External Source CHEMBL
PubChem CID 46884824 Functional Category Bioactive
Molecule Name SureCN1409447
IUPAC Name 1-[4-[4,6-bis[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
Synonyms CHEBI:721329
InChi InChI=1S/C31H37N9O3/c1-37-10-12-38(13-11-37)23-8-6-22(7-9-23)33-31(41)32-21-4-2-20(3-5-21)28-34-29(39-16-26-14-24(39)18-42-26)36-30(35-28)40-17-27-15-25(40)19-43-27/h2-9,24-27H,10-19H2,1H3,(H2,32,33,41)/t24-,25-,26-,27-/m0/s1
InChiKey VHMSKBYACVOPGE-FWEHEUNISA-N
Formula C31H37N9O3 Molecular Weight 583.68
Cross Link CHEMBL1088972
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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