CFam Chemical Families Database
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You are searching for "CFAMM00215496" 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 CFAMM00215496
Family CFFID611 Heat shock protein HSP 90-alpha Inhibitor 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h- Family
Superfamily CFSID501 Leukotriene B4 receptor 1 and Heat shock protein HSP 90-alpha Binder Superfamily
Class CFCAD377 Class 377
External ID CHEMBL200001 External Source CHEMBL
PubChem CID 11562562 Functional Category Bioactive
Molecule Name AGN-PC-00BN6Y
IUPAC Name 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
Synonyms SureCN1855753;CHEBI:435778;2-Fluoro-8-((6-iodobenzo[d][1,3]dioxol-5-yl)methyl)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
InChi InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)
InChiKey JPPCGDGMQGJGQK-UHFFFAOYSA-N
Formula C19H22FIN6O2 Molecular Weight 512.32
Cross Link CHEMBL200001
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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