General Information of the Compound
Compound ID
CP0687605
Compound Name
4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)-1H-indazol-3-amine
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Structure
Formula
C19H23N3O
Molecular Weight
309.413
Canonical SMILES
COc1cccc2c1c(NCC(C)(C)c1ccccc1)nn2C
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InChI
InChI=1S/C19H23N3O/c1-19(2,14-9-6-5-7-10-14)13-20-18-17-15(22(3)21-18)11-8-12-16(17)23-4/h5-12H,13H2,1-4H3,(H,20,21)
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InChIKey
HXEVLVCWXGPTTA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9716
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
39.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 16050947
SID: 24437400
ChEMBL ID
CHEMBL3356070
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 198 nM
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