General Information of the Compound
Compound ID
CP0540735
Compound Name
4-[8-(1H-imidazol-5-yl)-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
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Structure
Formula
C18H21N5O2
Molecular Weight
339.399
Canonical SMILES
CC(C)Oc1cc(nc2c(nccc12)-c1cnc[nH]1)N1CCOCC1
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InChI
InChI=1S/C18H21N5O2/c1-12(2)25-15-9-16(23-5-7-24-8-6-23)22-17-13(15)3-4-20-18(17)14-10-19-11-21-14/h3-4,9-12H,5-8H2,1-2H3,(H,19,21)
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InChIKey
FMVHQZUKNCNGSV-UHFFFAOYSA-N
Physicochemical Property
logP
2.6437
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
76.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 156020529
ChEMBL ID
CHEMBL4648541
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 = 3400 nM
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