General Information of the Compound
Compound ID
CP0481957
Compound Name
N-(5-butyl-6-oxophenanthridin-2-yl)methanesulfonamide
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Structure
Formula
C18H20N2O3S
Molecular Weight
344.436
Canonical SMILES
CCCCn1c2ccc(NS(C)(=O)=O)cc2c2ccccc2c1=O
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InChI
InChI=1S/C18H20N2O3S/c1-3-4-11-20-17-10-9-13(19-24(2,22)23)12-16(17)14-7-5-6-8-15(14)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3
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InChIKey
FMMPFLXMWHZVTQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3263
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
68.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 137647049
ChEMBL ID
CHEMBL4085267
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 = 14000 nM
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