General Information of the Compound
Compound ID
CP0917536
Compound Name
(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)diphenylmethanol
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Formula
C21H25NO
Molecular Weight
307.437
Canonical SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](C(O)(c1ccccc1)c1ccccc1)C2
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InChI
InChI=1S/C21H25NO/c1-22-19-12-13-20(22)15-18(14-19)21(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,23H,12-15H2,1H3/t18-,19+,20-
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InChIKey
AMCQLHFZSJNRGF-ACDBMABISA-N
Physicochemical Property
logP
3.7953
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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
CHEMBL3084393
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: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1498 nM
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