General Information of the Compound
Compound ID
CP0575005
Compound Name
3-[(6-amino-7-methyl-1,5-naphthyridin-3-yl)methyl]-N,1-dimethyl-2-oxo-N-phenylimidazole-4-carboxamide
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Structure
Formula
C22H22N6O2
Molecular Weight
402.458
Canonical SMILES
CN(C(=O)c1cn(C)c(=O)n1Cc1cnc2cc(C)c(N)nc2c1)c1ccccc1
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InChI
InChI=1S/C22H22N6O2/c1-14-9-17-18(25-20(14)23)10-15(11-24-17)12-28-19(13-26(2)22(28)30)21(29)27(3)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H2,23,25)
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InChIKey
AUEAGHFCJQERFF-UHFFFAOYSA-N
Physicochemical Property
logP
2.34552
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
99.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 168269164
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 = 29 nM
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