CFam Chemical Families Database
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You are searching for "CFAMM00058886" in compound.

Total 1 results found.

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 CFAMM00058886
Family CFFAD418 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family
Superfamily CFSAD364 Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Superfamily
Class CFCAD342 Class 342
External ID CHEMBL569320 External Source CHEMBL
PubChem CID 45486347 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[[(2S)-1-(5-aminopentylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
IUPAC Name (2S)-N-[(2S)-1-[[(2S)-1-(5-aminopentylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
Synonyms CHEBI:679930
InChi InChI=1S/C30H53N11O4/c1-20(2)25(28(45)40-22(13-9-17-37-29(32)33)26(43)36-16-8-4-7-15-31)41-27(44)23(14-10-18-38-30(34)35)39-24(42)19-21-11-5-3-6-12-21/h3,5-6,11-12,20,22-23,25H,4,7-10,13-19,31H2,1-2H3,(H,36,43)(H,39,42)(H,40,45)(H,41,44)(H4,32,33,37)(H4,34,35,38)/t22-,23-,25-/m0/s1
InChiKey OKVUSVMWJCODCG-LSQMVHIFSA-N
Formula C30H53N11O4 Molecular Weight 631.81
Cross Link CHEMBL569320
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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