CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00169971" 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 CFAMM00169971
Family CFFCD724 Ibrutinib family
Superfamily CFSCD640 Ibrutinib Superfamily
Class CFCCD38 Class 851
External ID CHEMBL1242751 External Source CHEMBL
PubChem CID 24905178 Functional Category Bioactive
Molecule Name AGN-PC-04TMYW
IUPAC Name 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
Synonyms SureCN3613209;1-isopropyl-3-(2,3-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
InChi InChI=1S/C16H19N5O2/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)10-6-5-7-11(22-3)14(10)23-4/h5-9H,1-4H3,(H2,17,18,19)
InChiKey ZXLCCABWVQDAOS-UHFFFAOYSA-N
Formula C16H19N5O2 Molecular Weight 313.35
Cross Link CHEMBL1242751
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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