General Information of the Compound
Compound ID
CP0568295
Compound Name
8-(4-chlorophenyl)-2-(ethylamino)-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
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Structure
Formula
C24H20ClN5O
Molecular Weight
429.911
Canonical SMILES
CCNc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1
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InChI
InChI=1S/C24H20ClN5O/c1-3-26-21-11-6-16-14-30(19-9-10-20-17(12-19)13-29(2)28-20)24(31)22(23(16)27-21)15-4-7-18(25)8-5-15/h4-14H,3H2,1-2H3,(H,26,27)
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InChIKey
XQIPDZBHPUDOTG-UHFFFAOYSA-N
Physicochemical Property
logP
5.0246
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
64.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 168282213
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 = 10 nM
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