CFam Chemical Families Database
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You are searching for "CFAMM00417921" 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 CFAMM00417921
Family CFFBM12720 Integrin beta-1 and Integrin alpha-4 inhibitor 4-[[(2S,5S)-5-(ethoxymethyl)-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid family
Superfamily CFSBM276 Integrin alpha-4 and Cathepsin S Binder Superfamily
Class CFCAD678 Class 678
External ID CHEMBL2332705 External Source CHEMBL
PubChem CID 58778354 Functional Category Bioactive
Molecule Name 4-[[(2S,5S)-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]-5-(methoxymethyl)pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
IUPAC Name 4-[[(2S,5S)-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]-5-(methoxymethyl)pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
Synonyms SureCN14592676
InChi InChI=1S/C30H35F2N3O6/c1-17-3-7-20(31)14-25(17)34-30-33-24-12-6-19(27(32)28(24)41-30)13-26(36)35-21(15-39-2)8-9-22(35)16-40-23-10-4-18(5-11-23)29(37)38/h3,6-7,12,14,18,21-23H,4-5,8-11,13,15-16H2,1-2H3,(H,33,34)(H,37,38)/t18-,21-,22-,23-/m0/s1
InChiKey YSEPKFBFYZRCEF-QGQQZZQASA-N
Formula C30H35F2N3O6 Molecular Weight 571.61
Cross Link CHEMBL2332705
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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