General Information of the Compound
Compound ID
CP0154571
Compound Name
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-pyridin-2-ylbenzamide
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Structure
Formula
C19H17FN4O
Molecular Weight
336.37
Canonical SMILES
Cc1cc(F)c(cc1-n1cnc(c1)C1CC1)C(=O)Nc1ccccn1
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InChI
InChI=1S/C19H17FN4O/c1-12-8-15(20)14(19(25)23-18-4-2-3-7-21-18)9-17(12)24-10-16(22-11-24)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,21,23,25)
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InChIKey
CCQFNUGZTSLAOK-UHFFFAOYSA-N
Physicochemical Property
logP
3.84452
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 134157323
ChEMBL ID
CHEMBL3981026
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: PT01533, Mitogen-activated protein kinase kinase kinase 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6309.57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6000 nM