General Information of the Compound
Compound ID
CP0451138
Compound Name
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]cyclohexanesulfonamide
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Structure
Formula
C19H20FN3O2S
Molecular Weight
373.453
Canonical SMILES
Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)C2CCCCC2)cc1
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InChI
InChI=1S/C19H20FN3O2S/c20-14-8-11-17-18(12-14)21-22-19(17)13-6-9-15(10-7-13)23-26(24,25)16-4-2-1-3-5-16/h6-12,16,23H,1-5H2,(H,21,22)
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InChIKey
WDFYNEYLQSJPFO-UHFFFAOYSA-N
Physicochemical Property
logP
4.4434
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155424833
ChEMBL ID
CHEMBL4871660
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02266, Dual specificity mitogen-activated protein kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1900 nM
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