General Information of the Compound
Compound ID
CP0372767
Compound Name
N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide
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Structure
Formula
C23H38N2O
Molecular Weight
358.57
Canonical SMILES
CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
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InChI
InChI=1S/C23H38N2O/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6/h16H,7-15H2,1-6H3,(H,24,26)
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InChIKey
SABKBGUARPNLAS-UHFFFAOYSA-N
Physicochemical Property
logP
6.01104
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 9975693
SID: 14953440
ChEMBL ID
CHEMBL513892
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: PT01327, Sterol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 640 nM
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