CFam Chemical Families Database
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You are searching for "CFAMM00169966" 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 CFAMM00169966
Family CFFCD724 Ibrutinib family
Superfamily CFSCD640 Ibrutinib Superfamily
Class CFCCD38 Class 851
External ID CHEMBL1242028 External Source CHEMBL
PubChem CID 52949532 Functional Category Bioactive
Molecule Name (4E)-4-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2,5-difluorocyclohexa-2,5-dien-1-one
IUPAC Name (4E)-4-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2,5-difluorocyclohexa-2,5-dien-1-one
Synonyms
InChi InChI=1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,17,18,19)
InChiKey DYEJYFAQYRMVFS-UHFFFAOYSA-N
Formula C14H13F2N5O Molecular Weight 305.28
Cross Link CHEMBL1242028
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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