General Information of the Compound
Compound ID
CP0401428
Compound Name
4-methyl-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
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Structure
Formula
C18H27NO
Molecular Weight
273.42
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(C)cc1
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InChI
InChI=1S/C18H27NO/c1-12(2)16-10-7-14(4)11-17(16)19-18(20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3,(H,19,20)/t14-,16+,17-/m1/s1
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InChIKey
IJASTHUWZRMNOD-HYVNUMGLSA-N
Physicochemical Property
logP
4.18562
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 46887624
ChEMBL ID
CHEMBL1098074
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 = 2200 nM
   TI
   LI
   LO
   TS
2
IC50 = 2500 nM
   TI
   LI
   LO
   TS