General Information of the Compound
Compound ID
CP0540072
Compound Name
4-[8-(1H-indol-2-yl)-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
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Structure
Formula
C23H24N4O2
Molecular Weight
388.471
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)-c1cc2ccccc2[nH]1)N1CCOCC1
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InChI
InChI=1S/C23H24N4O2/c1-15(2)29-20-14-21(27-9-11-28-12-10-27)26-22-17(20)7-8-24-23(22)19-13-16-5-3-4-6-18(16)25-19/h3-8,13-15,25H,9-12H2,1-2H3
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InChIKey
IVSRLDKMCBPOCX-UHFFFAOYSA-N
Physicochemical Property
logP
4.4019
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
63.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 156013077
ChEMBL ID
CHEMBL4638863
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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