General Information of the Compound
Compound ID
CP0445878
Compound Name
2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
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Structure
Formula
C23H15N5S
Molecular Weight
393.475
Canonical SMILES
Cc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
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InChI
InChI=1S/C23H15N5S/c1-14-27-18-8-7-16(9-22(18)29-14)28-13-26-21-12-25-20-11-24-19(10-17(20)23(21)28)15-5-3-2-4-6-15/h2-13H,1H3
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InChIKey
CJSAGIIAFYMWNG-UHFFFAOYSA-N
Physicochemical Property
logP
5.55382
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
56.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 134149275
ChEMBL ID
CHEMBL3936462
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: PT01476, Mitogen-activated protein kinase kinase kinase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 80 nM
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