General Information of the Compound
Compound ID
CP0444375
Compound Name
6,7-dichloro-3-methyl-3-phenylquinoline-2,4(1H,3H)-dione
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Structure
Formula
C16H11Cl2NO2
Molecular Weight
320.175
Canonical SMILES
CC1(C(=O)Nc2cc(Cl)c(Cl)cc2C1=O)c1ccccc1
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InChI
InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)10-7-11(17)12(18)8-13(10)19-15(16)21/h2-8H,1H3,(H,19,21)
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InChIKey
JJCUSEGDUMQHLK-UHFFFAOYSA-N
Physicochemical Property
logP
4.0861
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 11616729
SID: 16719640
ChEMBL ID
CHEMBL253271
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 > 1000 nM
   TI
   LI
   LO
   TS