General Information of the Compound
Compound ID
CP0473131
Compound Name
6-(2-morpholin-4-yl-4-propan-2-yloxy-1,7-naphthyridin-8-yl)-1H-pyridin-2-one
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Structure
Formula
C20H22N4O3
Molecular Weight
366.421
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)-c1cccc(=O)[nH]1)N1CCOCC1
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InChI
InChI=1S/C20H22N4O3/c1-13(2)27-16-12-17(24-8-10-26-11-9-24)23-19-14(16)6-7-21-20(19)15-4-3-5-18(25)22-15/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)
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InChIKey
FUFWEKYXOSMNMR-UHFFFAOYSA-N
Physicochemical Property
logP
2.6089
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
80.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 156018424
ChEMBL ID
CHEMBL4643584
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: PT01934, Serine/threonine-protein kinase ATR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000154 HEK293-EBNA1-6E Homo sapiens (Human)  1
1
IC50 > 20000 nM
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