General Information of the Compound
Compound ID
CP0848901
Compound Name
1,3-Dimethyl-N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-1H-pyrazole-5-carboxamide
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Structure
Formula
C19H17N5O3
Molecular Weight
363.377
Canonical SMILES
Cc1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(C)n1
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InChI
InChI=1S/C19H17N5O3/c1-11-9-15(24(2)23-11)18(25)20-12-5-3-6-13(10-12)27-16-8-4-7-14-17(16)22-19(26)21-14/h3-10H,1-2H3,(H,20,25)(H2,21,22,26)
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InChIKey
QWRCHMJZHYJAFF-UHFFFAOYSA-N
Physicochemical Property
logP
2.94272
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
104.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 46228729
ChEMBL ID
CHEMBL598652
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 79000 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS