CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00027078" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00027078
Family CFFAD154 Histamine H1 receptor Ligand Doxepin Family
Superfamily CFSAD144 Histamine H1 receptor Ligand Doxepin Superfamily
Class CFCAD142 Class 142
External ID CHEMBL304223 External Source CHEMBL
PubChem CID 44305860 Functional Category Bioactive
Molecule Name (E)-but-2-enedioic acid;(11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid
IUPAC Name (E)-but-2-enedioic acid;(11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Synonyms CHEBI:201255
InChi InChI=1S/C22H23NO3.C4H4O4/c24-22(25)16-9-10-21-20(14-16)19(8-5-13-23-11-3-4-12-23)18-7-2-1-6-17(18)15-26-21;5-3(6)1-2-4(7)8/h1-2,6-10,14H,3-5,11-13,15H2,(H,24,25);1-2H,(H,5,6)(H,7,8)/b19-8-;2-1+
Formula C22H23NO3.C4H4O4 Molecular Weight 465.50
Cross Link CHEMBL304223

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



80825 visits since 2014 .........


Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links


Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00027078'),None, txtsearch, CFAMM00027078|