CFam Chemical Families Database
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You are searching for "CFAMM00319394" in compound.

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CFAM Mol ID CFAMM00319394
Family CFFBM1094 Substance-P receptor ligand (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(methoxymethyl)phenyl]pyrrolidine-1,2-dicarboxamide family
Superfamily CFSBM618 Substance-P receptor and Vasopressin V2 receptor Binder Superfamily 2
Class CFCID150 Class 1500
External ID CHEMBL325312 External Source CHEMBL
PubChem CID 10603544 Functional Category Bioactive
Molecule Name methyl 2-[[(2S)-2-[[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]benzoate
IUPAC Name methyl 2-[[(2S)-2-[[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]benzoate
Synonyms CHEBI:277537
InChi InChI=1S/C35H36N4O5/c1-38(23-24-11-4-3-5-12-24)33(41)30(22-25-18-19-26-13-6-7-14-27(26)21-25)36-32(40)31-17-10-20-39(31)35(43)37-29-16-9-8-15-28(29)34(42)44-2/h3-9,11-16,18-19,21,30-31H,10,17,20,22-23H2,1-2H3,(H,36,40)(H,37,43)/t30-,31-/m0/s1
InChiKey LRECQAAWBMLZRF-CONSDPRKSA-N
Formula C35H36N4O5 Molecular Weight 592.68
Cross Link CHEMBL325312
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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