CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00138664" 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 CFAMM00138664
Family CFFCD142 Cyclin-dependent kinase 2 Inhibitor Seliciclib Family
Superfamily CFSCD128 Cyclin-dependent kinase 2 Inhibitor Seliciclib Superfamily
Class CFCCD107 Class 920
External ID DNC003611 External Source TTD
PubChem CID 2422 Functional Category Investigative Drug
Molecule Name BOHEMINE
IUPAC Name 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
Synonyms AC1L1DN2;SureCN1443403;[6-Benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine;3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol;purine deriv. 1;CHEMBL83980;GTPL5938;CTK8A4395;HMS3229C10;DNC003611
InChi InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
InChiKey OPQGFIAVPSXOBO-UHFFFAOYSA-N
Formula C18H24N6O Molecular Weight 340.42
Cross Link CHEMBL83980
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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