CFam Chemical Families Database
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You are searching for "CFAMM00632962" 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 CFAMM00632962
Family CFFPA31375 Putative Intermediates To Herbicidal 4-substituted Isoxazoles In Patent US5747424,US5650533,US5656573 Family
Superfamily CFSID484 Cytochrome P450 11B1, mitochondrial Inhibitor 3-meso2-dde Superfamily
Class CFCID337 Class 1687
External ID 54011014 External Source PubChem
PubChem CID 54011014 Functional Category Patent Compound
Molecule Name AGN-PC-0A1PSC
IUPAC Name 4-chloro-1-[2-(cyclopropylmethyl)-3-ethoxyprop-2-enyl]-2-methylsulfonylbenzene
Synonyms 4-chloro-1-[2-(cyclopropylmethyl)-3-ethoxyprop-2-enyl]-2-methylsulfonylbenzene
InChi InChI=1S/C16H21ClO3S/c1-3-20-11-13(8-12-4-5-12)9-14-6-7-15(17)10-16(14)21(2,18)19/h6-7,10-12H,3-5,8-9H2,1-2H3
InChiKey KSIUZTGNDJSSFI-UHFFFAOYSA-N
Formula C16H21ClO3S Molecular Weight 328.85
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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