CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00455370" 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 CFAMM00455370
Family CFFBM20323 Histamine H1 receptor and 5-hydroxytryptamine receptor 2A ligand SureCN3006278 family
Superfamily CFSBM7889 Sodium- and Beta-lactamase Binder Superfamily 3
Class CFCAD51 Class 51
External ID CHEMBL1277312 External Source CHEMBL
PubChem CID 25184832 Functional Category Bioactive
Molecule Name AGN-PC-04XH3I
IUPAC Name 1-spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-ylazetidine-3-carboxylic acid
Synonyms SureCN3014902;CHEBI:813287;1-spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-ylazetidine-3-carboxylic acid
InChi InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25)
InChiKey IRGGYSVFJCBILG-UHFFFAOYSA-N
Formula C22H23NO3 Molecular Weight 349.42
Cross Link CHEMBL1277312
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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