CFam Chemical Families Database
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You are searching for "CFAMM00449857" in compound.

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CFAM Mol ID CFAMM00449857
Family CFFBM18936 Adenosine receptor A2a and Adenosine receptor A3 ligand SureCN1401976 family
Superfamily CFSID1282 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 4
Class CFCAD652 Class 652
External ID CHEMBL601730 External Source CHEMBL
PubChem CID 46230243 Functional Category Bioactive
Molecule Name 2-[4-[2-[[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]amino]ethyl]imidazol-1-yl]acetic acid
IUPAC Name 2-[4-[2-[[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]amino]ethyl]imidazol-1-yl]acetic acid
Synonyms CHEBI:699304
InChi InChI=1S/C34H39N9O5/c1-2-27(44)39-25-15-26(31(48)30(25)47)43-20-38-29-32(36-16-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22)40-34(41-33(29)43)35-14-13-23-17-42(19-37-23)18-28(45)46/h3-12,17,19-20,24-26,30-31,47-48H,2,13-16,18H2,1H3,(H,39,44)(H,45,46)(H2,35,36,40,41)/t25-,26+,30+,31-/m0/s1
InChiKey SLUDEWSSMYOKIL-ZBKRMGPDSA-N
Formula C34H39N9O5 Molecular Weight 653.73
Cross Link CHEMBL601730
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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