CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00161711" in compound.

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CFAM Mol ID CFAMM00161711
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL1683222 External Source CHEMBL
PubChem CID 53317510 Functional Category Bioactive
Molecule Name AGN-PC-09QH71
IUPAC Name 1-benzyl-3-pentan-3-yl-1-[[3-(2-phenylethynyl)phenyl]methyl]urea
Synonyms CHEBI:1173315;1-benzyl-3-pentan-3-yl-1-[[3-(2-phenylethynyl)phenyl]methyl]urea
InChi InChI=1S/C28H30N2O/c1-3-27(4-2)29-28(31)30(21-25-14-9-6-10-15-25)22-26-17-11-16-24(20-26)19-18-23-12-7-5-8-13-23/h5-17,20,27H,3-4,21-22H2,1-2H3,(H,29,31)
Formula C28H30N2O Molecular Weight 410.55
Cross Link CHEMBL1683222

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).

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National University of Singapore, Singapore

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