General Information of the Compound
Compound ID
CP0549355
Compound Name
(11R)-6-methoxy-10-methyl-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-triene
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Formula
C20H24N2O
Molecular Weight
308.425
Canonical SMILES
COc1ccc2CN3CC[C@@](C3)(N(C)Cc2c1)c1ccccc1
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InChI
InChI=1S/C20H24N2O/c1-21-13-17-12-19(23-2)9-8-16(17)14-22-11-10-20(21,15-22)18-6-4-3-5-7-18/h3-9,12H,10-11,13-15H2,1-2H3/t20-/m0/s1
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InChIKey
FLSQHFIODMJWMG-FQEVSTJZSA-N
Physicochemical Property
logP
3.2418
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
15.71
Hydrogen Bond Donor Count
0
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
CHEMBL4758781
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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