CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00027070" 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 CFAMM00027070
Family CFFAD154 Histamine H1 receptor Ligand Doxepin Family
Superfamily CFSAD144 Histamine H1 receptor Ligand Doxepin Superfamily
Class CFCAD142 Class 142
External ID 57270489 External Source PubChem
PubChem CID 57270489 Functional Category Patent Compound
Molecule Name AGN-PC-0A6Q7D
IUPAC Name 6-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]hex-5-enoic acid
Synonyms SureCN5179115;6-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]hex-5-enoic acid
InChi InChI=1S/C34H43NO3/c1-26(2)35(27(3)4)23-22-31(30-17-11-7-12-18-30)32-24-28(14-8-6-13-19-34(36)37)20-21-33(32)38-25-29-15-9-5-10-16-29/h5,7-12,14-18,20-21,24,26-27,31H,6,13,19,22-23,25H2,1-4H3,(H,36,37)
InChiKey WQQCLUUXZXDTMS-UHFFFAOYSA-N
Formula C34H43NO3 Molecular Weight 513.71
Cross Link
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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