General Information of the Compound
Compound ID
CP0567148
Compound Name
5-hexyl-6-oxophenanthridine-2-carboxamide
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Structure
Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(N)=O
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InChI
InChI=1S/C20H22N2O2/c1-2-3-4-7-12-22-18-11-10-14(19(21)23)13-17(18)15-8-5-6-9-16(15)20(22)24/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,21,23)
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InChIKey
IMRDLCWJUJKLSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.8339
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
65.09
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: 137645979
ChEMBL ID
CHEMBL4081569
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 > 3000 nM
   TI
   LI
   LO
   TS