CFam Chemical Families Database
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You are searching for "CFAMM00325491" 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 CFAMM00325491
Family CFFBM1599 Alpha-2B adrenergic receptor and Alpha-2C adrenergic receptor ligand N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide family
Superfamily CFSBM920 Alpha-2C adrenergic receptor and Alpha-2B adrenergic receptor Binder Superfamily 3
Class CFCBM356 Class 3406
External ID 53672320 External Source PubChem
PubChem CID 53672320 Functional Category Patent Compound
Molecule Name AGN-PC-09WWXW
IUPAC Name N-[1-(2-cyclooctylethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Synonyms N-[1-(2-cyclooctylethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
InChi InChI=1S/C30H40N2O2/c1-32(20-17-23-11-5-3-2-4-6-12-23)21-18-24(19-22-32)31-30(33)29-25-13-7-9-15-27(25)34-28-16-10-8-14-26(28)29/h7-10,13-16,23-24,29H,2-6,11-12,17-22H2,1H3/p+1
InChiKey BASXYKDNARARPE-UHFFFAOYSA-O
Formula C30H41N2O2+ Molecular Weight 461.66
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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