CFam Chemical Families Database
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You are searching for "CFAMM00242384" 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 CFAMM00242384
Family CFFID1545 Histamine H3 receptor Ligand A-349821 Family
Superfamily CFSID1202 Caspase-3 and Histamine H3 receptor Binder Superfamily
Class CFCCD80 Class 893
External ID CHEMBL231325 External Source CHEMBL
PubChem CID 44426032 Functional Category Bioactive
Molecule Name SureCN3349216
IUPAC Name 1-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
Synonyms CHEBI:484450
InChi InChI=1S/C33H42N4O5/c1-4-14-37(15-5-2)33(41)27-19-25(31(34)39)18-26(20-27)32(40)36-29(17-23-10-7-6-8-11-23)30(38)22-35-21-24-12-9-13-28(16-24)42-3/h6-13,16,18-20,29-30,35,38H,4-5,14-15,17,21-22H2,1-3H3,(H2,34,39)(H,36,40)/t29-,30+/m0/s1
InChiKey YDSHWOAYBJHGOV-XZWHSSHBSA-N
Formula C33H42N4O5 Molecular Weight 574.71
Cross Link CHEMBL231325
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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