General Information of the Compound
Compound ID
CP0160093
Compound Name
N-(3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetamide
    Show/Hide
Structure
Formula
C17H20N4O4
Molecular Weight
344.371
Canonical SMILES
COc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
    Show/Hide
InChI
InChI=1S/C17H20N4O4/c1-24-13-4-2-3-12(9-13)18-16(22)10-14-19-15(11-17(23)20-14)21-5-7-25-8-6-21/h2-4,9,11H,5-8,10H2,1H3,(H,18,22)(H,19,20,23)
    Show/Hide
InChIKey
RUVSRIAGPJOKFO-UHFFFAOYSA-N
Physicochemical Property
logP
0.7963
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
96.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 136230229
SID: 163439837
ChEMBL ID
CHEMBL2151922
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 850 nM
   TI
   LI
   LO
   TS