General Information of the Compound
Compound ID
CP0201582
Compound Name
4-[5-(4-methoxyphenyl)pyridin-3-yl]benzamide
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
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InChI
InChI=1S/C19H16N2O2/c1-23-18-8-6-14(7-9-18)17-10-16(11-21-12-17)13-2-4-15(5-3-13)19(20)22/h2-12H,1H3,(H2,20,22)
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InChIKey
FGGKGCUTYJQVJX-UHFFFAOYSA-N
Physicochemical Property
logP
3.5231
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
65.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 127025153
ChEMBL ID
CHEMBL3752854
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: PT01532, Mitogen-activated protein kinase kinase kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 45 nM