General Information of the Compound
Compound ID
CP0382736
Compound Name
2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
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Structure
Formula
C35H48N4O4
Molecular Weight
588.793
Canonical SMILES
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C2=O)c1ccccc1
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InChI
InChI=1S/C35H48N4O4/c1-32(2,3)26-15-13-25(14-16-26)30(41)37-19-17-35(18-20-37)31(42)38(24-39(35)27-11-9-8-10-12-27)23-29(40)43-28-21-33(4,5)36-34(6,7)22-28/h8-16,28,36H,17-24H2,1-7H3
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InChIKey
FCPFLYPSHXYJIO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1176
Rotatable Bonds
5
Heavy Atom Count
43
Polar Areas
82.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
43

"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: 53325945
ChEMBL ID
CHEMBL1629904
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: PT04639, NPC1-like intracellular cholesterol transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1300 nM
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