General Information of the Compound
Compound ID
CP0530025
Compound Name
3-(9-(dimethylamino)nonyl)-8-(4-isopropylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
    Show/Hide
Formula
C33H56N4O
Molecular Weight
524.838
Canonical SMILES
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C33H56N4O/c1-28(2)29-17-19-30(20-18-29)35-25-21-33(22-26-35)32(38)36(27-37(33)31-15-11-10-12-16-31)24-14-9-7-5-6-8-13-23-34(3)4/h10-12,15-16,28-30H,5-9,13-14,17-27H2,1-4H3/t29-,30+
    Show/Hide
InChIKey
KQUYXDKOXBGYGV-RNPORBBMSA-N
Physicochemical Property
logP
6.6344
Rotatable Bonds
13
Heavy Atom Count
38
Polar Areas
30.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
38

"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
ChEMBL ID
CHEMBL1762372
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5.5 nM
   TI
   LI
   LO
   TS