CFam Chemical Families Database
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You are searching for "CFAMM00407066" 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 CFAMM00407066
Family CFFBM11132 RAC-alpha serine/threonine-protein kinase inhibitor 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]-3-(2-methyl-1-thiophen-2-ylpropan-2-yl)-1,3-dihydroindol-2-one family
Superfamily CFSBM4996 RAC-alpha serine/threonine-protein kinase and Nuclear receptor ROR-gamma Binder Superfamily
Class CFCBM158 Class 3208
External ID CHEMBL572884 External Source CHEMBL
PubChem CID 45482466 Functional Category Bioactive
Molecule Name 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]-3-thiophen-2-yl-1,3-dihydroindol-2-one
IUPAC Name 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]-3-thiophen-2-yl-1,3-dihydroindol-2-one
Synonyms CHEBI:670235
InChi InChI=1S/C28H24N4O2S/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-35-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
InChiKey VHKOLGNBWBIWAS-SVQMELKDSA-N
Formula C28H24N4O2S Molecular Weight 480.58
Cross Link CHEMBL572884
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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