General Information of the Compound
Compound ID
CP0382395
Compound Name
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamoyl]-2-methylbenzamide
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Structure
Formula
C25H22N4O5
Molecular Weight
458.474
Canonical SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC
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InChI
InChI=1S/C25H22N4O5/c1-15-6-4-5-7-18(15)23(30)29-25(31)28-16-8-10-17(11-9-16)34-24-19-12-21(32-2)22(33-3)13-20(19)26-14-27-24/h4-14H,1-3H3,(H2,28,29,30,31)
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InChIKey
PEPJPELNFRAZNQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.70962
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
111.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 44409484
ChEMBL ID
CHEMBL203279
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 = 623 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 = 6 nM
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