General Information of the Compound
Compound ID
CP0380463
Compound Name
3-methoxy-N-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
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Structure
Formula
C17H14F3N3O2
Molecular Weight
349.312
Canonical SMILES
CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F
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InChI
InChI=1S/C17H14F3N3O2/c1-21-16(24)9-3-4-11(15(5-9)25-2)12-6-10(17(18,19)20)7-14-13(12)8-22-23-14/h3-8H,1-2H3,(H,21,24)(H,22,23)
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InChIKey
BHMRWHRWBMLFNH-UHFFFAOYSA-N
Physicochemical Property
logP
3.6169
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
67.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 89783377
ChEMBL ID
CHEMBL3798381
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15 nM
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