General Information of the Compound
Compound ID
CP0568954
Compound Name
2-(cyclopropylamino)-3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]pyrimidin-4-one
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Structure
Formula
C23H23N7O2
Molecular Weight
429.484
Canonical SMILES
Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CC2)n(C)c1=O
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InChI
InChI=1S/C23H23N7O2/c1-14-21(32-17-8-9-24-20(10-17)15-11-26-29(2)13-15)7-6-19(27-14)18-12-25-23(28-16-4-5-16)30(3)22(18)31/h6-13,16H,4-5H2,1-3H3,(H,25,28)
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InChIKey
ZJIRIQBCHHNGDO-UHFFFAOYSA-N
Physicochemical Property
logP
3.31282
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
99.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
32

"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: 86267822
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: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM