CFam Chemical Families Database
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You are searching for "CFAMM00413656" in compound.

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CFAM Mol ID CFAMM00413656
Family CFFBM12065 Nitric oxide synthase, inducible inhibitor N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide family
Superfamily CFSBM5631 Nitric oxide synthase, inducible and Acyl-CoA desaturase 1 Binder Superfamily
Class CFCCD37 Class 850
External ID CHEMBL376632 External Source CHEMBL
PubChem CID 16115747 Functional Category Bioactive
Molecule Name SureCN232030
IUPAC Name (2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
Synonyms BBS 4;CHEBI:470782;DB06916;KB-74871;(2R)-N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-1-[2-(imidazol-1-yl)-6-methylpyrimidin-4-yl]pyrrolidine-2-carboxamide;402934-09-2
InChi InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1
InChiKey LBCGUKCXRVUULK-QGZVFWFLSA-N
Formula C22H24N6O3 Molecular Weight 420.46
Cross Link CHEMBL376632 DB06916
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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