General Information of the Compound
Compound ID
CP0943615
Compound Name
4-(4-(5-isopropoxy-1H-indazol-3-yl)pyridin-2-yl)morpholine
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Structure
Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
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InChI
InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
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InChIKey
BGTSLFFCVKEYPT-UHFFFAOYSA-N
Physicochemical Property
logP
3.2487
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
63.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 90400979
ChEMBL ID
CHEMBL4100904
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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 43 nM
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