General Information of the Compound
Compound ID
CP0578499
Compound Name
1-[(2-amino-3-methylquinolin-7-yl)methyl]-N-methyl-6-oxo-N-phenylpyridine-2-carboxamide
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Structure
Formula
C24H22N4O2
Molecular Weight
398.466
Canonical SMILES
CN(C(=O)c1cccc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
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InChI
InChI=1S/C24H22N4O2/c1-16-13-18-12-11-17(14-20(18)26-23(16)25)15-28-21(9-6-10-22(28)29)24(30)27(2)19-7-4-3-5-8-19/h3-14H,15H2,1-2H3,(H2,25,26)
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InChIKey
SJNIQXOMVHKJNW-UHFFFAOYSA-N
Physicochemical Property
logP
3.61202
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
81.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 168273065
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: PT03087, Protein arginine N-methyltransferase 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000187 Calu-6 Homo sapiens (Human)  1
1
IC50 = 17 nM
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