CFam Chemical Families Database
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You are searching for "CFAMM00344947" 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 CFAMM00344947
Family CFFBM3262 B2 bradykinin receptor ligand SureCN8516699 family
Superfamily CFSBM659 B2 bradykinin receptor Binder Superfamily
Class CFCAD297 Class 297
External ID 57199180 External Source PubChem
PubChem CID 57199180 Functional Category Patent Compound
Molecule Name AGN-PC-0BPC7S
IUPAC Name N-[2-(methoxymethyl)-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-1-propan-2-ylindole-4-carboxamide
Synonyms N-[2-(methoxymethyl)-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-1-propan-2-ylindole-4-carboxamide
InChi InChI=1S/C39H49N5O5/c1-27(2)44-18-17-31-32(10-9-11-35(31)44)39(47)40-33-16-14-29(25-30(33)26-48-5)38(46)41-34-15-13-28(3)24-36(34)49-23-8-6-7-12-37(45)43-21-19-42(4)20-22-43/h9-11,13-18,24-25,27H,6-8,12,19-23,26H2,1-5H3,(H,40,47)(H,41,46)
InChiKey LRXGFKDKELNXEF-UHFFFAOYSA-N
Formula C39H49N5O5 Molecular Weight 667.84
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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