General Information of the Compound
Compound ID
CP0473071
Compound Name
4-Methoxy-N-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]benzamide
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Structure
Formula
C18H27NO2
Molecular Weight
289.419
Canonical SMILES
COc1ccc(cc1)C(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C
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InChI
InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)19-18(20)14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
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InChIKey
ABRBNROSGNKGSY-XOKHGSTOSA-N
Physicochemical Property
logP
3.8858
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 46887731
ChEMBL ID
CHEMBL1098430
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 9600 nM
   TI
   LI
   LO
   TS
2
IC50 = 12800 nM
   TI
   LI
   LO
   TS