CFam Chemical Families Database
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You are searching for "CFAMM00269328" 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 CFAMM00269328
Family CFFID2482 Histamine H3 receptor Ligand (r)-1-(4-nitrophenethyl)-2-methylpyrrolidine Family
Superfamily CFSID1504 Histamine H3 receptor and Amyloid beta A4 protein Binder Superfamily
Class CFCID827 Class 2177
External ID 57004139 External Source PubChem
PubChem CID 57004139 Functional Category Patent Compound
Molecule Name AGN-PC-0BKI2U
IUPAC Name 4-(3,8-dimethyl-10-nitrodeca-1,3,5,7,9-pentaenyl)-N-dodecyl-N-methylaniline
Synonyms 4-(3,8-dimethyl-10-nitrodeca-1,3,5,7,9-pentaenyl)-N-dodecyl-N-methylaniline
InChi InChI=1S/C31H46N2O2/c1-5-6-7-8-9-10-11-12-13-16-26-32(4)31-23-21-30(22-24-31)20-19-28(2)17-14-15-18-29(3)25-27-33(34)35/h14-15,17-25,27H,5-13,16,26H2,1-4H3
InChiKey KWJMZYZESSMNFI-UHFFFAOYSA-N
Formula C31H46N2O2 Molecular Weight 478.71
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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