CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00002855" in compound.

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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 CFAMM00002855
Family CFFAD16 D(2) dopamine receptor ligand catecholamine Dopamine family
Superfamily CFSAD16 D(2) dopamine receptor ligand catecholamine Dopamine Superfamily
Class CFCAD16 Class 16
External ID 14346606 External Source PubChem
PubChem CID 14346606 Functional Category Patent Compound
Molecule Name AGN-PC-0014B9
IUPAC Name 3-ethyl-4-[2-[7-[2-(2-ethyl-3,4-dihydroxyphenyl)ethylamino]heptylamino]ethyl]benzene-1,2-diol
Synonyms 3-ethyl-4-[2-[7-[2-(2-ethyl-3,4-dihydroxyphenyl)ethylamino]heptylamino]ethyl]benzene-1,2-diol
InChi InChI=1S/C27H42N2O4/c1-3-22-20(10-12-24(30)26(22)32)14-18-28-16-8-6-5-7-9-17-29-19-15-21-11-13-25(31)27(33)23(21)4-2/h10-13,28-33H,3-9,14-19H2,1-2H3
InChiKey XTJDMFJKUQEHRR-UHFFFAOYSA-N
Formula C27H42N2O4 Molecular Weight 458.63
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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