General Information of the Compound
Compound ID
CP0558542
Compound Name
2-[(11R)-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-yl]ethanol
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Formula
C20H24N2O
Molecular Weight
308.425
Canonical SMILES
OCCN1Cc2ccccc2CN2CC[C@]1(C2)c1ccccc1
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InChI
InChI=1S/C20H24N2O/c23-13-12-22-15-18-7-5-4-6-17(18)14-21-11-10-20(22,16-21)19-8-2-1-3-9-19/h1-9,23H,10-16H2/t20-/m0/s1
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InChIKey
AZJVLLSUGGXPRA-FQEVSTJZSA-N
Physicochemical Property
logP
2.5957
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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
CHEMBL4761037
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: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 20000 nM
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