CFam Chemical Families Database
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You are searching for "CFAMM00386490" in compound.

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CFAM Mol ID CFAMM00386490
Family CFFBM8242 Integrin beta-1 and Integrin alpha-4 inhibitor AGN-PC-02YIN5 family
Superfamily CFSBM4455 D(2) dopamine receptor and Integrin beta-1 Binder Superfamily
Class CFCID1057 Class 2407
External ID 22994266 External Source PubChem
PubChem CID 22994266 Functional Category Patent Compound
Molecule Name AGN-PC-03XUFA
IUPAC Name tert-butyl 3-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)-3-methoxyphenyl]acetyl]amino]phenyl]butanoate
Synonyms SureCN6588789;tert-butyl 3-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)-3-methoxyphenyl]acetyl]amino]phenyl]butanoate
InChi InChI=1S/C32H37N3O5/c1-21(18-30(37)40-32(2,3)4)23-11-13-25(14-12-23)33-29(36)20-22-10-15-26(28(19-22)39-5)34-31(38)35-17-16-24-8-6-7-9-27(24)35/h6-15,19,21H,16-18,20H2,1-5H3,(H,33,36)(H,34,38)
InChiKey LFVJMUJEKBLRPA-UHFFFAOYSA-N
Formula C32H37N3O5 Molecular Weight 543.65
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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