General Information of the Compound
Compound ID
CP0578806
Compound Name
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
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Formula
C19H22N6O3
Molecular Weight
382.424
Canonical SMILES
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)N1CCOCC1
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InChI
InChI=1S/C19H22N6O3/c1-10-3-4-12(26)11(2)16(10)25-17(20)14(18(21)27)15-19(25)22-9-13(23-15)24-5-7-28-8-6-24/h3-4,9,26H,5-8,20H2,1-2H3,(H2,21,27)
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InChIKey
FKGXPIQMSCNIPK-UHFFFAOYSA-N
Physicochemical Property
logP
1.26064
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
132.52
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
28

"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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ChEMBL ID
CHEMBL5200849
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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000449 FU-OV-1 Homo sapiens (Human)  1
1
IC50 = 25 nM
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