General Information of the Compound
Compound ID
CP0568549
Compound Name
3-[(2-amino-3-methylquinolin-7-yl)methyl]-N-methyl-2-oxo-N-phenyl-1,3-oxazole-4-carboxamide
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Structure
Formula
C22H20N4O3
Molecular Weight
388.427
Canonical SMILES
CN(C(=O)c1coc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
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InChI
InChI=1S/C22H20N4O3/c1-14-10-16-9-8-15(11-18(16)24-20(14)23)12-26-19(13-29-22(26)28)21(27)25(2)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H2,23,24)
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InChIKey
WHZDHZUNFCOZFX-UHFFFAOYSA-N
Physicochemical Property
logP
3.20502
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
94.36
Hydrogen Bond Donor Count
1
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: 168269901
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 = 1 nM
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