CFam Chemical Families Database
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You are searching for "CFAMM00379498" in compound.

Total 1 results found.

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 CFAMM00379498
Family CFFBM7379 Stromelysin-1 inhibitor 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID family
Superfamily CFSID1104 Integrin beta-3 Inhibitor Lotrafiban Superfamily
Class CFCID325 Class 1675
External ID CHEMBL8933 External Source CHEMBL
PubChem CID 446065 Functional Category Bioactive
Molecule Name 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID
IUPAC Name (2S,4R)-4-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]-2-[4-(3-oxo-1H-isoindol-2-yl)butyl]hexanoic acid
Synonyms L04;1hfs;CHEBI:104564;L-764004
InChi InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1
InChiKey WSHMSPGZDPZGRV-GZYXPWJKSA-N
Formula C43H48FN3O5 Molecular Weight 705.86
Cross Link CHEMBL8933
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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