CFam Chemical Families Database
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You are searching for "CFAMM00059110" 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 CFAMM00059110
Family CFFAD419 Alpha-1B adrenergic receptor ligand Morpholine derivative Phendimetrazine Family
Superfamily CFSAD302 Biogenic amine receptor Diphenhydramine Phendimetrazine Diphenylpyraline Superfamily
Class CFCAD231 Class 231
External ID CHEMBL429103 External Source CHEMBL
PubChem CID 44428294 Functional Category Bioactive
Molecule Name AGN-PC-0470XN
IUPAC Name 7-benzyl-9-butyl-4-phenylmethoxy-7,9-diazabicyclo[3.2.2]nonane
Synonyms CHEBI:490534;(1S,4R,5R)-7-benzyl-9-butyl-4-phenylmethoxy-7,9-diazabicyclo[3.2.2]nonane
InChi InChI=1S/C25H34N2O/c1-2-3-16-26-18-23-14-15-25(28-20-22-12-8-5-9-13-22)24(26)19-27(23)17-21-10-6-4-7-11-21/h4-13,23-25H,2-3,14-20H2,1H3
InChiKey BAWRLAUIQOALAY-UHFFFAOYSA-N
Formula C25H34N2O Molecular Weight 378.55
Cross Link CHEMBL429103
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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