CFam Chemical Families Database
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You are searching for "CFAMM00379926" in compound.

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CFAM Mol ID CFAMM00379926
Family CFFBM7421 Substance-K receptor ligand N-[1-[[(2S)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-4-pyrrol-1-ylbenzamide family
Superfamily CFSCD665 CP-18770 Superfamily
Class CFCAD295 Class 295
External ID CHEMBL1683147 External Source CHEMBL
PubChem CID 53326714 Functional Category Bioactive
Molecule Name 2-chloro-N-[1-[[(2S)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-4-pyrrol-1-ylbenzamide
IUPAC Name 2-chloro-N-[1-[[(2S)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-4-pyrrol-1-ylbenzamide
Synonyms
InChi InChI=1S/C38H48ClN5O4/c39-33-25-31(44-18-6-7-19-44)10-11-32(33)35(45)42-38(16-4-5-17-38)37(47)41-34(24-28-8-2-1-3-9-28)36(46)40-26-29-12-20-43(21-13-29)27-30-14-22-48-23-15-30/h1-3,6-11,18-19,25,29-30,34H,4-5,12-17,20-24,26-27H2,(H,40,46)(H,41,47)(H,42,45)/t34-/m0/s1
InChiKey ZUOUNFWNIKLCLI-UMSFTDKQSA-N
Formula C38H48ClN5O4 Molecular Weight 674.27
Cross Link CHEMBL1683147
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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