General Information of the Compound
Compound ID
CP0635072
Compound Name
endo-(1R,5S)-N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
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Formula
C12H22N2O
Molecular Weight
210.321
Canonical SMILES
CCCNC(=O)[C@H]1C[C@@H]2CNC[C@@H](C2)C1
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InChI
InChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)/t9-,10+,11+
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InChIKey
FEIJFKLKIQDCEV-URLYPYJESA-N
Physicochemical Property
logP
1.1483
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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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ChEMBL ID
CHEMBL2409476
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 10000 nM
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