CFam Chemical Families Database
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You are searching for "CFAMM00422896" in compound.

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CFAM Mol ID CFAMM00422896
Family CFFBM13547 Integrin beta-3 and Integrin alpha-V inhibitor (3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid family
Superfamily CFSBM6080 Integrin beta-3 and Integrin alpha-V Binder Superfamily 22
Class CFCBM1936 Class 4986
External ID CHEMBL242716 External Source CHEMBL
PubChem CID 9894840 Functional Category Bioactive
Molecule Name (3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
IUPAC Name (3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
Synonyms CHEBI:491955
InChi InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1
InChiKey ZABQRLFKWHUGJA-KRWDZBQOSA-N
Formula C22H23Cl2N5O7 Molecular Weight 540.35
Cross Link CHEMBL242716
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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