CFam Chemical Families Database
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You are searching for "CFAMM00436289" in compound.

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CFAM Mol ID CFAMM00436289
Family CFFBM15896 Angiotensin-converting enzyme and Histone-lysine N-methyltransferase 2A inhibitor Zofenopril family
Superfamily CFSBM6717 Angiotensin-converting enzyme and Histone-lysine N-methyltransferase 2A inhibitor Zofenopril Superfamily
Class CFCBM1235 Class 4285
External ID 57049292 External Source PubChem
PubChem CID 57049292 Functional Category Patent Compound
Molecule Name
IUPAC Name (1R,2R,4R)-1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-(4-fluorophenyl)sulfanyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
Synonyms
InChi InChI=1S/C23H24FNO4S2/c1-15(14-30-22(27)17-6-4-3-5-7-17)21(26)25(23(28)29)13-20(12-16(25)2)31-19-10-8-18(24)9-11-19/h3-11,15-16,20H,12-14H2,1-2H3/p+1/t15?,16-,20-,25-/m1/s1
InChiKey XLQIQPZQLXEUKW-YRPNTYJRSA-O
Formula C23H25FNO4S2+ Molecular Weight 462.58
Cross Link
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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