General Information of the Compound
Compound ID
CP0266312
Compound Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
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Structure
Formula
C28H24FN3O5
Molecular Weight
501.514
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)C4CCN(C4=O)c4ccccc4)cc3F)c2cc1OC
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InChI
InChI=1S/C28H24FN3O5/c1-35-25-15-20-22(16-26(25)36-2)30-12-10-23(20)37-24-9-8-17(14-21(24)29)31-27(33)19-11-13-32(28(19)34)18-6-4-3-5-7-18/h3-10,12,14-16,19H,11,13H2,1-2H3,(H,31,33)
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InChIKey
GFMJATLKGABDIJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.175
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
89.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 24965937
SID: 56264058
ChEMBL ID
CHEMBL2032033
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
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 123 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 13.7 nM