CFam Chemical Families Database
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You are searching for "CFAMM00392865" 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 CFAMM00392865
Family CFFBM9085 C-C chemokine receptor type 5 ligand SureCN13543564 family
Superfamily CFSBM2026 C-C chemokine receptor type 5 and Type-1 angiotensin II receptor Binder Superfamily
Class CFCID991 Class 2341
External ID 19957553 External Source PubChem
PubChem CID 19957553 Functional Category Patent Compound
Molecule Name AGN-PC-02T4HE
IUPAC Name methyl 3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]-2,2-dimethylpropanoate
Synonyms SureCN8878828;methyl 3-[4-[2-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,5-diazocan-1-yl]ethyl]phenyl]-2,2-dimethylpropanoate
InChi InChI=1S/C34H41FN4O2/c1-34(2,32(40)41-3)24-27-12-10-26(11-13-27)18-23-37-19-6-21-38(22-7-20-37)33-36-30-8-4-5-9-31(30)39(33)25-28-14-16-29(35)17-15-28/h4-5,8-17H,6-7,18-25H2,1-3H3
InChiKey QWGKPDSXHQLEHR-UHFFFAOYSA-N
Formula C34H41FN4O2 Molecular Weight 556.71
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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