CFam Chemical Families Database
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You are searching for "CFAMM00395789" in compound.

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CFAM Mol ID CFAMM00395789
Family CFFBM9477 B1 bradykinin receptor ligand N-[(4S)-1-ethyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide family
Superfamily CFSBM4845 B1 bradykinin receptor Binder Superfamily 4
Class CFCBM1262 Class 4312
External ID CHEMBL1939937 External Source CHEMBL
PubChem CID 57394685 Functional Category Bioactive
Molecule Name N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
IUPAC Name N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
Synonyms SureCN4179735
InChi InChI=1S/C23H32N4O4S/c1-16-4-8-18(9-5-16)32(30,31)27-13-11-24-22(29)19(27)14-21(28)25-20-10-12-26(17-6-7-17)15-23(20,2)3/h4-5,8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-3H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
InChiKey VHJKPIKQKYEFLV-UXHICEINSA-N
Formula C23H32N4O4S Molecular Weight 460.59
Cross Link CHEMBL1939937
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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