General Information of the Compound
Compound ID
CP0504740
Compound Name
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine
    Show/Hide
Structure
Formula
C18H19N3O2
Molecular Weight
309.369
Canonical SMILES
COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
    Show/Hide
InChI
InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
    Show/Hide
InChIKey
OYHXDIYGCSLVFT-UHFFFAOYSA-N
Physicochemical Property
logP
3.93254
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
51.39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118729850
ChEMBL ID
CHEMBL3403517
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 = 3.4 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
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 58.2 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 = 33.2 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS
CL000104 SW620 Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
GI50 = 11.4 nM
   TI
   LI
   LO
   TS
CL000115 SNB-19 Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS
CL000244 786-O Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS
CL000365 NCI-H226 Homo sapiens (Human)  1
1
GI50 = 13 nM
   TI
   LI
   LO
   TS
CL000964 NCI-H522 Homo sapiens (Human)  1
1
GI50 < 10 nM
   TI
   LI
   LO
   TS