General Information of the Compound
Compound ID
CP0473063
Compound Name
2-morpholin-4-yl-4-propan-2-yloxy-1,7-naphthyridine-8-carboxamide
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Structure
Formula
C16H20N4O3
Molecular Weight
316.361
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)C(N)=O)N1CCOCC1
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InChI
InChI=1S/C16H20N4O3/c1-10(2)23-12-9-13(20-5-7-22-8-6-20)19-14-11(12)3-4-18-15(14)16(17)21/h3-4,9-10H,5-8H2,1-2H3,(H2,17,21)
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InChIKey
NJBQMRIGWFBEHN-UHFFFAOYSA-N
Physicochemical Property
logP
1.3525
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
90.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 156019804
ChEMBL ID
CHEMBL4646594
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 = 3300 nM
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