General Information of the Compound
Compound ID
CP0280711
Compound Name
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C26H23FN6O4
Molecular Weight
502.506
Canonical SMILES
COc1cc2ncnc(Nc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2cc1OC
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InChI
InChI=1S/C26H23FN6O4/c1-36-22-13-18-21(14-23(22)37-2)28-15-29-24(18)31-20-9-8-16(12-19(20)27)30-25(34)33-11-10-32(26(33)35)17-6-4-3-5-7-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,34)(H,28,29,31)
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InChIKey
BEYUGPLUWSNIHT-UHFFFAOYSA-N
Physicochemical Property
logP
5.0038
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
108.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 24966287
SID: 56264410
ChEMBL ID
CHEMBL573765
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3300 nM