General Information of the Compound
Compound ID
CP0555701
Compound Name
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
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Structure
Formula
C18H13FN4O2S
Molecular Weight
368.393
Canonical SMILES
Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)c2cccnc2)cc1
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InChI
InChI=1S/C18H13FN4O2S/c19-13-5-8-16-17(10-13)21-22-18(16)12-3-6-14(7-4-12)23-26(24,25)15-2-1-9-20-11-15/h1-11,23H,(H,21,22)
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InChIKey
XZBWBKIKGZOWIA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5648
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 155424832
ChEMBL ID
CHEMBL4875241
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 = 750 nM
   TI
   LI
   LO
   TS
Protein ID: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS