General Information of the Compound
Compound ID
CP0516899
Compound Name
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
COc1ccc2N(CCCc2c1)c1nc(C)nc2ccccc12
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InChI
InChI=1S/C19H19N3O/c1-13-20-17-8-4-3-7-16(17)19(21-13)22-11-5-6-14-12-15(23-2)9-10-18(14)22/h3-4,7-10,12H,5-6,11H2,1-2H3
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InChIKey
SDVCOWGIPMODEC-UHFFFAOYSA-N
Physicochemical Property
logP
4.03112
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
38.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 71542891
SID: 163541520
ChEMBL ID
CHEMBL2420866
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 7.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 9.3 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 = 1.5 nM
   TI
   LI
   LO
   TS
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 3.1 nM
   TI
   LI
   LO
   TS