CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00058492" 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 CFAMM00058492
Family CFFAD418 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family
Superfamily CFSAD364 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Superfamily
Class CFCAD342 Class 342
External ID CHEMBL130769 External Source CHEMBL
PubChem CID 44351859 Functional Category Bioactive
Molecule Name (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(2-phenylethyl)pentanamide
IUPAC Name (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(2-phenylethyl)pentanamide
Synonyms CHEBI:312950
InChi InChI=1S/C17H29N3OS/c1-3-13(2)16(20-11-15(18)12-22)17(21)19-10-9-14-7-5-4-6-8-14/h4-8,13,15-16,20,22H,3,9-12,18H2,1-2H3,(H,19,21)/t13?,15-,16+/m1/s1
InChiKey SIYOYLHRGQJXDW-CZVYVAOFSA-N
Formula C17H29N3OS Molecular Weight 323.50
Cross Link CHEMBL130769
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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