General Information of the Compound
Compound ID
CP0547282
Compound Name
8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one
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Structure
Formula
C24H16ClF3N4O2
Molecular Weight
484.865
Canonical SMILES
Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O
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InChI
InChI=1S/C24H16ClF3N4O2/c1-31-11-16-10-18(7-8-19(16)30-31)32-12-15-4-9-20(34-13-24(26,27)28)29-22(15)21(23(32)33)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3
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InChIKey
VNCXJWJZEWVCBN-UHFFFAOYSA-N
Physicochemical Property
logP
5.5339
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
61.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 139551979
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 = 32 nM
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