CFam Chemical Families Database
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You are searching for "CFAMM00308887" 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 CFAMM00308887
Family CFFBM207 C-C chemokine receptor type 5 ligand AC1LAJEM family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID 57194800 External Source PubChem
PubChem CID 57194800 Functional Category Patent Compound
Molecule Name AGN-PC-0BP94X
IUPAC Name benzyl N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(4-pyridin-4-ylbutyl)carbamate
Synonyms SureCN6977561;benzyl N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(4-pyridin-4-ylbutyl)carbamate
InChi InChI=1S/C46H54N4O3/c1-31-25-32(2)27-36(26-31)43-42(40-28-37(14-19-41(40)48-43)46(4,5)44(51)50-38-15-16-39(50)18-17-38)33(3)29-49(24-10-9-11-34-20-22-47-23-21-34)45(52)53-30-35-12-7-6-8-13-35/h6-8,12-14,19-23,25-28,33,38-39,48H,9-11,15-18,24,29-30H2,1-5H3
InChiKey GSDCZMBKBRDYLO-UHFFFAOYSA-N
Formula C46H54N4O3 Molecular Weight 710.95
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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