CFam Chemical Families Database
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You are searching for "CFAMM00306939" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00306939
Family CFFBM87 Endothelin-1 receptor and Endothelin B receptor ligand (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-but-3-enyl-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid family
Superfamily CFSBM61 Endothelin-1 receptor and Endothelin B receptor Binder Superfamily
Class CFCBM24 Class 3074
External ID 54087172 External Source PubChem
PubChem CID 54087172 Functional Category Patent Compound
Molecule Name
IUPAC Name (2S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl-[4-(dimethylamino)butyl]amino]-2-oxoethyl]-2-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
Synonyms
InChi InChI=1S/C31H44N4O5/c1-4-5-17-34(18-9-8-16-33(2)3)29(36)21-35-20-25(23-11-14-27-28(19-23)40-22-39-27)30(31(37)38)26(35)13-12-24-10-6-7-15-32-24/h6-7,10-11,14-15,19,25-26,30H,4-5,8-9,12-13,16-18,20-22H2,1-3H3,(H,37,38)/t25-,26+,30?/m1/s1
InChiKey MRHFZJZBKNPGEM-UFZRHRTKSA-N
Formula C31H44N4O5 Molecular Weight 552.70
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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