General Information of the Compound
Compound ID
CP0491288
Compound Name
N-(2-hydroxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
    Show/Hide
Structure
Formula
C18H27NO3
Molecular Weight
305.418
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1O
    Show/Hide
InChI
InChI=1S/C18H27NO3/c1-12(2)14-9-8-13(3)10-17(14)22-11-18(21)19-15-6-4-5-7-16(15)20/h4-7,12-14,17,20H,8-11H2,1-3H3,(H,19,21)/t13-,14+,17-/m1/s1
    Show/Hide
InChIKey
CPQJEADHACKYMQ-JKIFEVAISA-N
Physicochemical Property
logP
3.8081
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71455548
SID: 163507017
ChEMBL ID
CHEMBL2180151
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 3390 nM
   TI
   LI
   LO
   TS