CFam Chemical Families Database
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You are searching for "CFAMM00126942" 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 CFAMM00126942
Family CFFCD8 RAC-gamma serine/threonine-protein kinase and Ribosomal protein S6 kinase beta-1 Inhibitor XL418 Family
Superfamily CFSCD8 RAC-gamma serine/threonine-protein kinase and Ribosomal protein S6 kinase beta-1 Inhibitor XL418 Superfamily
Class CFCCD6 Class 819
External ID DCL000009 External Source TTD
PubChem CID 56603663 Functional Category Clinical Trial Drug
Molecule Name XL418
IUPAC Name 3-bromo-4-[4-[5-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)phenyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
Synonyms SureCN1788529;DCL000009;3-bromo-4-[4-[5-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)phenyl]piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
InChi InChI=1S/C23H29BrClN7/c1-16-17(5-4-8-30-6-2-3-7-30)13-18(25)14-19(16)31-9-11-32(12-10-31)23-20-21(24)28-29-22(20)26-15-27-23/h13-15H,2-12H2,1H3,(H,26,27,28,29)
InChiKey QTGCAQPANBHFRY-UHFFFAOYSA-N
Formula C23H29BrClN7 Molecular Weight 518.88
Cross Link
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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