General Information of the Compound
Compound ID
CP0443598
Compound Name
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCc2ccccc2C1
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InChI
InChI=1S/C23H27N3O2/c1-24(2)23(28)21-15-18-8-5-6-10-20(18)26(21)22(27)12-14-25-13-11-17-7-3-4-9-19(17)16-25/h3-10,21H,11-16H2,1-2H3
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InChIKey
FPLAAEYIEZOPQC-UHFFFAOYSA-N
Physicochemical Property
logP
2.4809
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
43.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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).

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PubChem ID
CID: 70686575
SID: 163461065
ChEMBL ID
CHEMBL2064153
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