General Information of the Compound
Compound ID
CP0511650
Compound Name
5,7-dichloro-3-methyl-3-(4-(methylamino)phenyl)quinoline-2,4(1H,3H)-dione
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Structure
Formula
C17H14Cl2N2O2
Molecular Weight
349.217
Canonical SMILES
CNc1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
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InChI
InChI=1S/C17H14Cl2N2O2/c1-17(9-3-5-11(20-2)6-4-9)15(22)14-12(19)7-10(18)8-13(14)21-16(17)23/h3-8,20H,1-2H3,(H,21,23)
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InChIKey
UJVGCRMWOCTARW-UHFFFAOYSA-N
Physicochemical Property
logP
4.1278
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 11681803
SID: 16785956
ChEMBL ID
CHEMBL401969
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 257 nM
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