CFam Chemical Families Database
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You are searching for "CFAMM00161809" 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.

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CFAM Mol ID CFAMM00161809
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL1683210 External Source CHEMBL
PubChem CID 53325476 Functional Category Bioactive
Molecule Name AGN-PC-09QMEL
IUPAC Name 1-[[3-(2-cyclopropylethynyl)phenyl]methyl]-1-[[3-(2-phenylethynyl)phenyl]methyl]-3-propan-2-ylurea
Synonyms CHEBI:1173302;1-[[3-(2-cyclopropylethynyl)phenyl]methyl]-1-[[3-(2-phenylethynyl)phenyl]methyl]-3-propan-2-ylurea
InChi InChI=1S/C31H30N2O/c1-24(2)32-31(34)33(23-30-13-7-11-28(21-30)19-17-26-14-15-26)22-29-12-6-10-27(20-29)18-16-25-8-4-3-5-9-25/h3-13,20-21,24,26H,14-15,22-23H2,1-2H3,(H,32,34)
InChiKey OZIYWSQZVGOHTE-UHFFFAOYSA-N
Formula C31H30N2O Molecular Weight 446.58
Cross Link CHEMBL1683210
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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