General Information of the Compound
Compound ID
CP0461816
Compound Name
N,N-dimethyl-1-[3-(4-pyridin-2-ylpiperidin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
    Show/Hide
Structure
Formula
C24H30N4O2
Molecular Weight
406.53
Canonical SMILES
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C24H30N4O2/c1-26(2)24(30)22-17-19-7-3-4-9-21(19)28(22)23(29)12-16-27-14-10-18(11-15-27)20-8-5-6-13-25-20/h3-9,13,18,22H,10-12,14-17H2,1-2H3
    Show/Hide
InChIKey
KLWZSHNXMREPKV-UHFFFAOYSA-N
Physicochemical Property
logP
2.6972
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
56.75
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 70688694
SID: 163460863
ChEMBL ID
CHEMBL2064142
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