General Information of the Compound
Compound ID
CP0497075
Compound Name
2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
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Synonyms
17326-31-7
2-(morpholin-4-yl)-4h-pyrido[1,2-a]pyrimidin-4-one
2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
AC1L6MD6
AC1Q6IJU
AKOS024361168
BDBM50159642
CHEMBL179043
CTK4D4568
DTXSID80296606
MCULE-7092692912
NSC-110390
NSC110390
SCHEMBL4544196
ST50991317
ZINC1702791
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Structure
Formula
C12H13N3O2
Molecular Weight
231.255
Canonical SMILES
O=c1cc(nc2ccccn12)N1CCOCC1
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InChI
InChI=1S/C12H13N3O2/c16-12-9-11(14-5-7-17-8-6-14)13-10-3-1-2-4-15(10)12/h1-4,9H,5-8H2
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InChIKey
VDMRPNTZWKDYBB-UHFFFAOYSA-N
Physicochemical Property
logP
0.5311
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 269395
SID: 16448804
ChEMBL ID
CHEMBL179043
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: PT00955, DNA-dependent protein kinase catalytic subunit
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one )
Drug Name 2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
 Target Info 
Inhibitor