CFam Chemical Families Database
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You are searching for "CFAMM00052386" 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 CFAMM00052386
Family CFFAD354 Histamine H1 receptor Ligand Diphenhydramine Family
Superfamily CFSAD302 Biogenic amine receptor Diphenhydramine Phendimetrazine Diphenylpyraline Superfamily
Class CFCAD231 Class 231
External ID CHEMBL1202013 External Source CHEMBL
PubChem CID 49859848 Functional Category Bioactive
Molecule Name 2-(2-benzhydryloxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;oxalic acid
IUPAC Name 2-(2-benzhydryloxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;oxalic acid
Synonyms AGN-PC-088U21;2-(2-benzhydryloxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;oxalic acid
InChi InChI=1S/C21H26N2O.C2H2O4/c1-22-15-20-14-19(22)16-23(20)12-13-24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3-1(4)2(5)6/h2-11,19-21H,12-16H2,1H3;(H,3,4)(H,5,6)
InChiKey IDWFSQOYDFDPLD-UHFFFAOYSA-N
Formula C23H28N2O5 Molecular Weight 412.48
Cross Link CHEMBL1202013
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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