CFam Chemical Families Database
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You are searching for "CFAMM00183568" 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 CFAMM00183568
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID ZINC20612135 External Source ZINC
PubChem CID 29094349 Functional Category Natural Product
Molecule Name ZINC09013913
IUPAC Name (2S)-1-[(2S)-1-[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
Synonyms ZINC20612135
InChi InChI=1S/C27H28N4O6/c32-23-18-10-4-5-11-19(18)28-27(37)31(23)22(16-17-8-2-1-3-9-17)25(34)29-14-6-12-20(29)24(33)30-15-7-13-21(30)26(35)36/h1-5,8-11,20-22H,6-7,12-16H2,(H,28,37)(H,35,36)/p-1/t20-,21-,22-/m0/s1
InChiKey DVDBNSIIXPMOLO-FKBYEOEOSA-M
Formula C27H27N4O6- Molecular Weight 503.53
Cross Link
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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