General Information of the Compound
Compound ID
CP0461815
Compound Name
1-[3-(4-cyclopentylpiperazin-1-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
    Show/Hide
Structure
Formula
C23H34N4O2
Molecular Weight
398.551
Canonical SMILES
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCC1
    Show/Hide
InChI
InChI=1S/C23H34N4O2/c1-24(2)23(29)21-17-18-7-3-6-10-20(18)27(21)22(28)11-12-25-13-15-26(16-14-25)19-8-4-5-9-19/h3,6-7,10,19,21H,4-5,8-9,11-17H2,1-2H3
    Show/Hide
InChIKey
SOGKSLLEGMNOCS-UHFFFAOYSA-N
Physicochemical Property
logP
1.9828
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
47.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 70688695
SID: 163461061
ChEMBL ID
CHEMBL2064149
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
Ki > 250 nM
   TI
   LI
   LO
   TS