General Information of the Compound
Compound ID
CP0445570
Compound Name
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]-2-methylbenzamide
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Structure
Formula
C26H23N3O5
Molecular Weight
457.486
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC
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InChI
InChI=1S/C26H23N3O5/c1-16-6-4-5-7-19(16)25(30)29-26(31)28-17-8-10-18(11-9-17)34-22-12-13-27-21-15-24(33-3)23(32-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,31)
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InChIKey
LQEFORQTPQKHOT-UHFFFAOYSA-N
Physicochemical Property
logP
5.31462
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
98.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 44409504
ChEMBL ID
CHEMBL203227
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)  2
1
IC50 = 234 nM
   TI
   LI
   LO
   TS
2
IC50 = 434 nM
   TI
   LI
   LO
   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)  2
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
2
IC50 = 7.6 nM
   TI
   LI
   LO
   TS