CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00168514" 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 CFAMM00168514
Family CFFCD687 GDC-0349 family
Superfamily CFSCD612 GDC-0349 Superfamily
Class CFCCD433 Class 1246
External ID CHEMBL1257716 External Source CHEMBL
PubChem CID 52948007 Functional Category Bioactive
Molecule Name AGN-PC-09M8MH
IUPAC Name 1-(4-cyanophenyl)-3-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]urea
Synonyms SureCN1431667;CHEBI:806719;1-(4-cyanophenyl)-3-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]urea
InChi InChI=1S/C27H28N8O3/c28-15-18-1-5-20(6-2-18)29-27(36)30-21-7-3-19(4-8-21)24-31-25(34-11-13-37-14-12-34)33-26(32-24)35-22-9-10-23(35)17-38-16-22/h1-8,22-23H,9-14,16-17H2,(H2,29,30,36)
InChiKey DMWJVXKWQWZTQO-UHFFFAOYSA-N
Formula C27H28N8O3 Molecular Weight 512.56
Cross Link CHEMBL1257716
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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