General Information of the Compound
Compound ID
CP0416795
Compound Name
N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclohexanecarboxamide
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Structure
Formula
C23H33N5O2
Molecular Weight
411.55
Canonical SMILES
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCC1
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InChI
InChI=1S/C23H33N5O2/c29-21(18-8-3-1-4-9-18)25-20-12-10-19(11-13-20)22-26-27-23(30-22)24-14-7-17-28-15-5-2-6-16-28/h10-13,18H,1-9,14-17H2,(H,24,27)(H,25,29)
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InChIKey
PBRSZGRQNRVBHT-UHFFFAOYSA-N
Physicochemical Property
logP
4.5433
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
83.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 24782552
SID: 49706901
ChEMBL ID
CHEMBL2023919
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 158.49 nM
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Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19952.62 nM
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