CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00412894" 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 CFAMM00412894
Family CFFBM11963 Cathepsin K and Cathepsin S inhibitor 2-Cyano-pyrimidine, 17d family
Superfamily CFSCD638 Histone deacetylase 6 Inhibitor ACY-1215 Superfamily
Class CFCAD144 Class 144
External ID CHEMBL2205422 External Source CHEMBL
PubChem CID 71463025 Functional Category Bioactive
Molecule Name 3-[[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione
IUPAC Name 3-[[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione
Synonyms
InChi InChI=1S/C22H24N6O3/c1-12(29)28-10-8-13-11-14(5-6-15(13)28)24-21-23-9-7-16(26-21)25-17-18(20(31)19(17)30)27-22(2,3)4/h5-7,9,11,27H,8,10H2,1-4H3,(H2,23,24,25,26)
InChiKey MJCBPVVQRZZEGT-UHFFFAOYSA-N
Formula C22H24N6O3 Molecular Weight 420.46
Cross Link CHEMBL2205422
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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