General Information of the Compound
Compound ID
CP0379242
Compound Name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-9-hydroxyfluorene-9-carboxamide
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Structure
Formula
C21H22N2O2
Molecular Weight
334.419
Canonical SMILES
OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12
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InChI
InChI=1S/C21H22N2O2/c24-20(22-19-13-23-11-9-14(19)10-12-23)21(25)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19,25H,9-13H2,(H,22,24)/t19-/m0/s1
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InChIKey
PSFULERNVNPNAD-IBGZPJMESA-N
Physicochemical Property
logP
2.1133
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
52.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 67549179
ChEMBL ID
CHEMBL3401645
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 101.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18.7 nM
   TI
   LI
   LO
   TS