General Information of the Compound
Compound ID
CP0944870
Compound Name
(R)-2-methyl-4-(6-(5-(1-methylcyclopropoxy)-1H-indazol-3-yl)pyrimidin-4-yl)morpholine
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Structure
Formula
C20H23N5O2
Molecular Weight
365.437
Canonical SMILES
C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1
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InChI
InChI=1S/C20H23N5O2/c1-13-11-25(7-8-26-13)18-10-17(21-12-22-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)23-24-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1
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InChIKey
CUVZGGCTBOIZBH-CYBMUJFWSA-N
Physicochemical Property
logP
3.1763
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
76.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 78319902
ChEMBL ID
CHEMBL4065697
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 = 5 nM
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