General Information of the Compound
Compound ID
CP0570783
Compound Name
methyl 7-hydroxy-8-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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Formula
C15H19NO3
Molecular Weight
261.321
Canonical SMILES
COC(=O)C1CCC2CC(O)C1N2c1ccccc1
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InChI
InChI=1S/C15H19NO3/c1-19-15(18)12-8-7-11-9-13(17)14(12)16(11)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3
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InChIKey
DZXUNLRDTLQODP-UHFFFAOYSA-N
Physicochemical Property
logP
1.5778
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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
CHEMBL4857489
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: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 15 nM
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