General Information of the Compound
Compound ID
CP0525622
Compound Name
4-(4-propan-2-yloxy-8-pyridin-3-yl-1,7-naphthyridin-2-yl)morpholine
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)-c1cccnc1)N1CCOCC1
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InChI
InChI=1S/C20H22N4O2/c1-14(2)26-17-12-18(24-8-10-25-11-9-24)23-20-16(17)5-7-22-19(20)15-4-3-6-21-13-15/h3-7,12-14H,8-11H2,1-2H3
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InChIKey
XGHLYIMKXRENKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.3156
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
60.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 156013888
ChEMBL ID
CHEMBL4635622
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 = 18100 nM
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