General Information of the Compound
Compound ID
CP0497838
Compound Name
[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate
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Structure
Formula
C28H43NO4Si
Molecular Weight
485.741
Canonical SMILES
CCCCCCCCNC(=O)OCC(OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
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InChI
InChI=1S/C28H43NO4Si/c1-6-7-8-9-10-17-22-29-27(30)32-23-26(31-5)33-34(28(2,3)4,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h11-16,18-21,26H,6-10,17,22-23H2,1-5H3,(H,29,30)
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InChIKey
FAQROORDHIPZBC-UHFFFAOYSA-N
Physicochemical Property
logP
5.6222
Rotatable Bonds
14
Heavy Atom Count
34
Polar Areas
56.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 71458951
ChEMBL ID
CHEMBL2172458
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS