General Information of the Compound
Compound ID
CP0485124
Compound Name
1-[4-[7-(methylamino)quinazolin-4-yl]oxyphenyl]-3-phenylurea
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Structure
Formula
C22H19N5O2
Molecular Weight
385.427
Canonical SMILES
CNc1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
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InChI
InChI=1S/C22H19N5O2/c1-23-17-9-12-19-20(13-17)24-14-25-21(19)29-18-10-7-16(8-11-18)27-22(28)26-15-5-3-2-4-6-15/h2-14,23H,1H3,(H2,26,27,28)
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InChIKey
MKFIWUGFWZAWGJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1078
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
88.17
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 155206364
ChEMBL ID
CHEMBL4877828
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 44 nM
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