General Information of the Compound
Compound ID
CP0272447
Compound Name
N-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C33H34FN5O5
Molecular Weight
599.663
Canonical SMILES
COc1cc2c(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)ccnc2cc1OCC1CCN(C)CC1
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InChI
InChI=1S/C33H34FN5O5/c1-37-14-11-22(12-15-37)21-43-31-20-27-25(19-30(31)42-2)28(10-13-35-27)44-29-9-8-23(18-26(29)34)36-32(40)39-17-16-38(33(39)41)24-6-4-3-5-7-24/h3-10,13,18-20,22H,11-12,14-17,21H2,1-2H3,(H,36,40)
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InChIKey
HZAXAFBDACOIJN-UHFFFAOYSA-N
Physicochemical Property
logP
6.3695
Rotatable Bonds
8
Heavy Atom Count
44
Polar Areas
96.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
44

"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: 24967007
SID: 56265141
ChEMBL ID
CHEMBL572389
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 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 130 nM