CFam Chemical Families Database
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You are searching for "CFAMM00325490" in compound.

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CFAM Mol ID CFAMM00325490
Family CFFBM1599 Alpha-2B adrenergic receptor and Alpha-2C adrenergic receptor ligand N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-2-(2-methoxyphenyl)acetamide family
Superfamily CFSBM920 Alpha-2C adrenergic receptor and Alpha-2B adrenergic receptor Binder Superfamily 3
Class CFCBM356 Class 3406
External ID ZINC00725542 External Source ZINC
PubChem CID 1048749 Functional Category Natural Product
Molecule Name AC1LKS4O
IUPAC Name N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-phenylcyclopentane-1-carboxamide
Synonyms ZINC00725542;N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-phenylcyclopentane-1-carboxamide
InChi InChI=1S/C22H25NO3/c1-16(20-15-25-18-11-5-6-12-19(18)26-20)23-21(24)22(13-7-8-14-22)17-9-3-2-4-10-17/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H,23,24)/t16-,20-/m1/s1
InChiKey SBJMIUMYVKUWDE-OXQOHEQNSA-N
Formula C22H25NO3 Molecular Weight 351.44
Cross Link
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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