General Information of the Compound
Compound ID
CP0473065
Compound Name
N-methyl-2-morpholin-4-yl-4-propan-2-yloxy-1,7-naphthyridine-8-carboxamide
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Structure
Formula
C17H22N4O3
Molecular Weight
330.388
Canonical SMILES
CNC(=O)c1nccc2c(OC(C)C)cc(nc12)N1CCOCC1
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InChI
InChI=1S/C17H22N4O3/c1-11(2)24-13-10-14(21-6-8-23-9-7-21)20-15-12(13)4-5-19-16(15)17(22)18-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,22)
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InChIKey
MXDPNUMEAGHJMO-UHFFFAOYSA-N
Physicochemical Property
logP
1.6132
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
76.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 156009505
ChEMBL ID
CHEMBL4633347
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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