General Information of the Compound
Compound ID
CP0424722
Compound Name
1-cyclohexyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
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Structure
Formula
C24H27N3O4
Molecular Weight
421.497
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC
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InChI
InChI=1S/C24H27N3O4/c1-29-22-14-19-20(15-23(22)30-2)25-13-12-21(19)31-18-10-8-17(9-11-18)27-24(28)26-16-6-4-3-5-7-16/h8-16H,3-7H2,1-2H3,(H2,26,27,28)
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InChIKey
KVBWCMRDDFWCKD-UHFFFAOYSA-N
Physicochemical Property
logP
5.4985
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
81.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 11539040
SID: 16641150
ChEMBL ID
CHEMBL205953
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000138 M-07e Homo sapiens (Human)  1
1
IC50 = 22 nM
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   LI
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   TS
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000136 G-292 clone A141B1 Homo sapiens (Human)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS