CFam Chemical Families Database
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You are searching for "CFAMM00450055" in compound.

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CFAM Mol ID CFAMM00450055
Family CFFBM18964 cAMP-specific 3',5'-cyclic phosphodiesterase 4D inhibitor (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one;hydrochloride family
Superfamily CFSBM3461 cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D Binder Superfamily
Class CFCCD115 Class 928
External ID CHEMBL605096 External Source CHEMBL
PubChem CID 46227309 Functional Category Bioactive
Molecule Name (1S,6R)-2-(3,4-dimethoxyphenyl)-4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-diazabicyclo[4.2.0]oct-2-en-5-one
IUPAC Name (1S,6R)-2-(3,4-dimethoxyphenyl)-4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-diazabicyclo[4.2.0]oct-2-en-5-one
Synonyms CHEBI:694434
InChi InChI=1S/C26H31N3O4/c1-31-23-10-7-20(15-24(23)32-2)25-21-8-9-22(21)26(30)29(27-25)17-19-5-3-18(4-6-19)16-28-11-13-33-14-12-28/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3/t21-,22+/m0/s1
InChiKey TYRFDYIRJBOWAX-FCHUYYIVSA-N
Formula C26H31N3O4 Molecular Weight 449.54
Cross Link CHEMBL605096
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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