General Information of the Compound
Compound ID
CP0463592
Compound Name
N-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyridine-2-carboxamide
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Structure
Formula
C20H18N4O2
Molecular Weight
346.39
Canonical SMILES
Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)cc1
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InChI
InChI=1S/C20H18N4O2/c1-14-8-10-15(11-9-14)23-20(26)24-17-6-4-5-16(13-17)22-19(25)18-7-2-3-12-21-18/h2-13H,1H3,(H,22,25)(H2,23,24,26)
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InChIKey
MPESFXLASPUIMW-UHFFFAOYSA-N
Physicochemical Property
logP
4.28632
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
83.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 155557323
ChEMBL ID
CHEMBL4558158
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 160 nM
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