CFam Chemical Families Database
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You are searching for "CFAMM00445027" 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 CFAMM00445027
Family CFFBM17907 Alpha-2C adrenergic receptor and Alpha-2A adrenergic receptor ligand AGN-PC-077LL2 family
Superfamily CFSCD450 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand SLV-313 Superfamily
Class CFCAD284 Class 284
External ID CHEMBL491419 External Source CHEMBL
PubChem CID 44579271 Functional Category Bioactive
Molecule Name AGN-PC-077LL2
IUPAC Name 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-[(2-phenoxypyridin-3-yl)methoxy]ethyl]-1,4-diazepane
Synonyms CHEBI:591283;1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-[(2-phenoxypyridin-3-yl)methoxy]ethyl]-1,4-diazepane
InChi InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
InChiKey AFRRMVBYOMNLHN-UHFFFAOYSA-N
Formula C28H33N3O4 Molecular Weight 475.58
Cross Link CHEMBL491419
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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