General Information of the Compound
Compound ID
CP0547283
Compound Name
8-(4-chlorophenyl)-2-(2,2-difluoroethoxy)-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
    Show/Hide
Structure
Formula
C24H17ClF2N4O2
Molecular Weight
466.875
Canonical SMILES
Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)F)nc2c(-c2ccc(Cl)cc2)c1=O
    Show/Hide
InChI
InChI=1S/C24H17ClF2N4O2/c1-30-11-16-10-18(7-8-19(16)29-30)31-12-15-4-9-21(33-13-20(26)27)28-23(15)22(24(31)32)14-2-5-17(25)6-3-14/h2-12,20H,13H2,1H3
    Show/Hide
InChIKey
FXKHLPFXZPAEBI-UHFFFAOYSA-N
Physicochemical Property
logP
5.2367
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
61.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 168282275
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: PT03001, S-adenosylmethionine synthase isoform type-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 13 nM
   TI
   LI
   LO
   TS