General Information of the Compound
Compound ID
CP0468942
Compound Name
4-[8-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
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Structure
Formula
C19H23N5O2
Molecular Weight
353.426
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)-c1ccnn1C)N1CCOCC1
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InChI
InChI=1S/C19H23N5O2/c1-13(2)26-16-12-17(24-8-10-25-11-9-24)22-18-14(16)4-6-20-19(18)15-5-7-21-23(15)3/h4-7,12-13H,8-11H2,1-3H3
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InChIKey
AMVWBDBIBGHWJX-UHFFFAOYSA-N
Physicochemical Property
logP
2.6541
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
65.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 156010001
ChEMBL ID
CHEMBL4633576
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 = 12500 nM
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