General Information of the Compound
Compound ID
CP0466748
Compound Name
4-Methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-3-one
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Structure
Formula
C14H15NO
Molecular Weight
213.28
Canonical SMILES
CC1=C2CCc3ccccc3N2CCC1=O
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InChI
InChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5H,6-9H2,1H3
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InChIKey
DXHLMUSXIWMQGZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.686
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 10656222
SID: 15688271
ChEMBL ID
CHEMBL118447
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 = 185 nM
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