General Information of the Compound
Compound ID
CP0476964
Compound Name
US8637502, 10
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Structure
Formula
C23H33N3O2
Molecular Weight
383.536
Canonical SMILES
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NC(=O)CC1=O
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InChI
InChI=1S/C23H33N3O2/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-21-6-4-3-5-20(21)24-22(27)15-23(26)28/h3-6,16-19H,7-15H2,1-2H3,(H,24,27)
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InChIKey
VDAURJYHRMRIOH-UHFFFAOYSA-N
Physicochemical Property
logP
4.041
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
52.65
Hydrogen Bond Donor Count
1
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: 57502893
ChEMBL ID
CHEMBL3665429
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 = 610 nM
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   LI
   LO
   TS