CFam Chemical Families Database
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You are searching for "CFAMM00425728" in compound.

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CFAM Mol ID CFAMM00425728
Family CFFBM14024 C-X-C chemokine receptor type 2 and C-X-C chemokine receptor type 1 ligand (5E)-N,N-dimethyl-5-[[4-[[(1R)-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propyl]amino]-1,1-dioxo-2,5-dihydro-1,2,5-thiadiazol-3-yl]imino]-6-oxocyclohexa-1,3-diene-1-carboxamide family
Superfamily CFSCD426 Mucosal addressin cell adhesion molecule 1 Inhibitor PF-00547659 Superfamily
Class CFCCD197 Class 1010
External ID CHEMBL402076 External Source CHEMBL
PubChem CID 44446762 Functional Category Bioactive
Molecule Name (5E)-5-[[4-[[(1R)-1-(3-fluorophenyl)-2-methylpropyl]amino]-1,1-dioxo-2,5-dihydro-1,2,5-thiadiazol-3-yl]imino]-N,N-dimethyl-6-oxocyclohexa-1,3-diene-1-carboxamide
IUPAC Name (5E)-5-[[4-[[(1R)-1-(3-fluorophenyl)-2-methylpropyl]amino]-1,1-dioxo-2,5-dihydro-1,2,5-thiadiazol-3-yl]imino]-N,N-dimethyl-6-oxocyclohexa-1,3-diene-1-carboxamide
Synonyms CHEBI:522795
InChi InChI=1S/C21H24FN5O4S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-32(30,31)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-/m1/s1
InChiKey PASCQQQYSMLKAC-QGZVFWFLSA-N
Formula C21H24FN5O4S Molecular Weight 461.51
Cross Link CHEMBL402076
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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