CFam Chemical Families Database
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You are searching for "CFAMM00167708" 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.

Search Results

CFAM Mol ID CFAMM00167708
Family CFFCD662 Iofolastat I-124 family
Superfamily CFSCD592 Iofolastat I-124 Superfamily
Class CFCCD418 Class 1231
External ID CHEMBL1927828 External Source CHEMBL
PubChem CID 56648118 Functional Category Bioactive
Molecule Name (2S)-2-[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]octanoic acid
IUPAC Name (2S)-2-[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]octanoic acid
Synonyms
InChi InChI=1S/C22H32IN3O6/c1-2-3-4-5-8-17(20(28)29)25-22(32)26-18(21(30)31)9-6-7-14-24-19(27)15-10-12-16(23)13-11-15/h10-13,17-18H,2-9,14H2,1H3,(H,24,27)(H,28,29)(H,30,31)(H2,25,26,32)/t17-,18-/m0/s1
InChiKey ILBWUDPVKIGSAU-ROUUACIJSA-N
Formula C22H32IN3O6 Molecular Weight 561.41
Cross Link CHEMBL1927828
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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