CFam Chemical Families Database
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You are searching for "CFAMM00169958" 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 CFAMM00169958
Family CFFCD724 Ibrutinib family
Superfamily CFSCD640 Ibrutinib Superfamily
Class CFCCD38 Class 851
External ID CHEMBL1242114 External Source CHEMBL
PubChem CID 24905288 Functional Category Bioactive
Molecule Name AGN-PC-04TN1Y
IUPAC Name 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
Synonyms 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
InChi InChI=1S/C15H17N5O2/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)9-4-5-11(22-3)10(21)6-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChiKey KUUKOPMICNKRGE-UHFFFAOYSA-N
Formula C15H17N5O2 Molecular Weight 299.33
Cross Link CHEMBL1242114
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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