General Information of the Compound
Compound ID
CP0430492
Compound Name
8-Chloro-5-methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one
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Structure
Formula
C14H12ClNO
Molecular Weight
245.709
Canonical SMILES
CC1Cc2cc(Cl)ccc2-n2ccc(=O)cc12
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InChI
InChI=1S/C14H12ClNO/c1-9-6-10-7-11(15)2-3-13(10)16-5-4-12(17)8-14(9)16/h2-5,7-9H,6H2,1H3
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InChIKey
GMJHHNMMSMCSKC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1505
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 10658050
SID: 15690223
ChEMBL ID
CHEMBL332413
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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1880 nM
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