CFam Chemical Families Database
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You are searching for "CFAMM00387860" in compound.

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CFAM Mol ID CFAMM00387860
Family CFFBM8430 Prostaglandin D2 receptor and Prostacyclin receptor ligand 2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid family
Superfamily CFSBM4441 Prostaglandin D2 receptor and 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Binder Superfamily
Class CFCID1626 Class 2976
External ID CHEMBL184684 External Source CHEMBL
PubChem CID 21974328 Functional Category Bioactive
Molecule Name AGN-PC-03II7H
IUPAC Name 2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid
Synonyms SureCN5851218;CHEBI:408882;2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid
InChi InChI=1S/C26H21NO6/c1-16-13-20-18(14-24(28)29)5-4-6-21(20)27(16)26(30)17-9-11-19(12-10-17)31-15-25-32-22-7-2-3-8-23(22)33-25/h2-13,25H,14-15H2,1H3,(H,28,29)
InChiKey NGFCHDLVALKPTJ-UHFFFAOYSA-N
Formula C26H21NO6 Molecular Weight 443.45
Cross Link CHEMBL184684
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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