CFam Chemical Families Database
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You are searching for "CFAMM00316387" in compound.

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

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CFAM Mol ID CFAMM00316387
Family CFFBM831 Substance-P receptor ligand (1S,2R,5aS,7R,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-ethyl-1-(4-fluorophenyl)-7-hydroxy-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one family
Superfamily CFSBM463 Substance-P receptor and Substance-K receptor Binder Superfamily
Class CFCBM178 Class 3228
External ID CHEMBL403253 External Source CHEMBL
PubChem CID 44455487 Functional Category Bioactive
Molecule Name (3S,4S)-4-cyclopentyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
IUPAC Name (3S,4S)-4-cyclopentyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
Synonyms
InChi InChI=1S/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/m1/s1
InChiKey GEZOBYGDQAVHMG-WGNKJVRNSA-N
Formula C35H47F2N3O4 Molecular Weight 611.76
Cross Link CHEMBL403253
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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