CFam Chemical Families Database
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You are searching for "CFAMM00239906" in compound.

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CFAM Mol ID CFAMM00239906
Family CFFID1478 Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-fluorene-2,4-dione Family
Superfamily CFSID1159 Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-fluorene-2,4-dione Superfamily
Class CFCAD144 Class 144
External ID CHEMBL418196 External Source CHEMBL
PubChem CID 5365207 Functional Category Bioactive
Molecule Name AC1NSL61
IUPAC Name tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[(E)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethenyl]phenyl]carbamate
Synonyms SureCN5144636;CHEBI:136579;Purin-2,6-dione, 1,3,7-trimethyl-8-[2-[3-di(t-butyloxycarbonyl)aminophenyl]ethenyl]-;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[(E)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethenyl]phenyl]carbamate
InChi InChI=1S/C26H33N5O6/c1-25(2,3)36-23(34)31(24(35)37-26(4,5)6)17-12-10-11-16(15-17)13-14-18-27-20-19(28(18)7)21(32)30(9)22(33)29(20)8/h10-15H,1-9H3/b14-13+
InChiKey DIXVBPRYKDJULM-BUHFOSPRSA-N
Formula C26H33N5O6 Molecular Weight 511.57
Cross Link CHEMBL418196
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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