General Information of the Compound
Compound ID
CP0511649
Compound Name
5,7-dichloro-3-(4-(dimethylamino)phenyl)-3-methylquinoline-2,4(1H,3H)-dione
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Structure
Formula
C18H16Cl2N2O2
Molecular Weight
363.244
Canonical SMILES
CN(C)c1ccc(cc1)C1(C)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
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InChI
InChI=1S/C18H16Cl2N2O2/c1-18(10-4-6-12(7-5-10)22(2)3)16(23)15-13(20)8-11(19)9-14(15)21-17(18)24/h4-9H,1-3H3,(H,21,24)
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InChIKey
JOPUNRLKCLQDOT-UHFFFAOYSA-N
Physicochemical Property
logP
4.1521
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11501432
SID: 16603391
ChEMBL ID
CHEMBL252902
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 = 346 nM
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