General Information of the Compound
Compound ID
CP0496457
Compound Name
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide
    Show/Hide
Structure
Formula
C27H37N3O
Molecular Weight
419.613
Canonical SMILES
CN1CCN(CC1)C1(CNC(=O)C(C)(c2ccccc2)c2ccccc2)CCCCC1
    Show/Hide
InChI
InChI=1S/C27H37N3O/c1-26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25(31)28-22-27(16-10-5-11-17-27)30-20-18-29(2)19-21-30/h3-4,6-9,12-15H,5,10-11,16-22H2,1-2H3,(H,28,31)
    Show/Hide
InChIKey
RJCRLPBABAXZQO-UHFFFAOYSA-N
Physicochemical Property
logP
4.0591
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 44768892
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: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1167 nM
   TI
   LI
   LO
   TS