General Information of the Compound
Compound ID
CP0494682
Compound Name
2-Cyclohexylethyl N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-phenyl}carbamate
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Structure
Formula
C26H30N2O5
Molecular Weight
450.535
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC
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InChI
InChI=1S/C26H30N2O5/c1-30-24-16-21-22(17-25(24)31-2)27-14-12-23(21)33-20-10-8-19(9-11-20)28-26(29)32-15-13-18-6-4-3-5-7-18/h8-12,14,16-18H,3-7,13,15H2,1-2H3,(H,28,29)
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InChIKey
NVXYJRPMNZXXML-UHFFFAOYSA-N
Physicochemical Property
logP
6.5632
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
78.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 11690947
SID: 16795307
ChEMBL ID
CHEMBL425043
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 = 80 nM
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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 = 18 nM
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