General Information of the Compound
Compound ID
CP0507023
Compound Name
5-butyl-2-hydroxyphenanthridin-6-one
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Structure
Formula
C17H17NO2
Molecular Weight
267.328
Canonical SMILES
CCCCn1c2ccc(O)cc2c2ccccc2c1=O
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InChI
InChI=1S/C17H17NO2/c1-2-3-10-18-16-9-8-12(19)11-15(16)13-6-4-5-7-14(13)17(18)20/h4-9,11,19H,2-3,10H2,1H3
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InChIKey
KMRQFUNWNKVHIW-UHFFFAOYSA-N
Physicochemical Property
logP
3.6604
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 46885465
ChEMBL ID
CHEMBL1092220
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: PT03759, NPC intracellular cholesterol transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 30000 nM
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   LI
   LO
   TS