CFam Chemical Families Database
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You are searching for "CFAMM00102476" in compound.

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CFAM Mol ID CFAMM00102476
Family CFFAD789 Mannose-6-phosphate isomerase Inhibitor Sulfoxone Family
Superfamily CFSAD659 Mannose-6-phosphate isomerase Inhibitor Sulfoxone Superfamily
Class CFCAD596 Class 596
External ID CHEMBL1922716 External Source CHEMBL
PubChem CID 6918629 Functional Category Bioactive
Molecule Name 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline
IUPAC Name 5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline
Synonyms AC1OCFNR;SureCN6745818;5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline
InChi InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-10-3-8-21-9-11-22)6-7-18(17)25(23,24)16-5-2-4-14(19)12-16/h2,4-7,12-13,20-21H,3,8-11H2,1H3
InChiKey QIWUTULEOBBBBU-UHFFFAOYSA-N
Formula C18H22FN3O2S Molecular Weight 363.45
Cross Link CHEMBL1922716
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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