CFam Chemical Families Database
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You are searching for "CFAMM00127234" 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 CFAMM00127234
Family CFFCD10 Integrin alpha-4 Inhibitor R1295 Family
Superfamily CFSCD10 Integrin alpha-4 Inhibitor R1295 Superfamily
Class CFCCD7 Class 820
External ID ZINC02134977 External Source ZINC
PubChem CID 1789997 Functional Category Natural Product
Molecule Name AC1LX0IR
IUPAC Name (2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-2-phenylacetate
Synonyms ZINC02134977;(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-2-phenylacetate
InChi InChI=1S/C21H21N3O5/c1-12(2)17(18(25)23-16(20(27)28)13-8-4-3-5-9-13)24-19(26)14-10-6-7-11-15(14)22-21(24)29/h3-12,16-17H,1-2H3,(H,22,29)(H,23,25)(H,27,28)/p-1/t16-,17-/m0/s1
InChiKey ZKFAUKUAPRJQGA-IRXDYDNUSA-M
Formula C21H20N3O5- Molecular Weight 394.40
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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