CFam Chemical Families Database
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You are searching for "CFAMM00168450" 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 CFAMM00168450
Family CFFCD687 GDC-0349 family
Superfamily CFSCD612 GDC-0349 Superfamily
Class CFCCD433 Class 1246
External ID CHEMBL2331689 External Source CHEMBL
PubChem CID 59239077 Functional Category Bioactive
Molecule Name 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(2-methylpyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
IUPAC Name 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(2-methylpyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
Synonyms SureCN1831344
InChi InChI=1S/C26H32N8O2/c1-4-27-26(35)30-20-7-5-19(6-8-20)24-31-22-15-33(23-9-11-28-18(3)29-23)12-10-21(22)25(32-24)34-13-14-36-16-17(34)2/h5-9,11,17H,4,10,12-16H2,1-3H3,(H2,27,30,35)/t17-/m0/s1
InChiKey OESWUISVDCHYDK-KRWDZBQOSA-N
Formula C26H32N8O2 Molecular Weight 488.58
Cross Link CHEMBL2331689
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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