General Information of the Compound
Compound ID
CP0562319
Compound Name
6-fluoro-N-[(4-fluorophenyl)methyl]-1H-indazol-3-amine
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Formula
C14H11F2N3
Molecular Weight
259.259
Canonical SMILES
Fc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1
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InChI
InChI=1S/C14H11F2N3/c15-10-3-1-9(2-4-10)8-17-14-12-6-5-11(16)7-13(12)18-19-14/h1-7H,8H2,(H2,17,18,19)
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InChIKey
LZVFCHQMDMABHE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4532
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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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ChEMBL ID
CHEMBL4850006
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 = 4700 nM
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