General Information of the Compound
Compound ID
CP0549356
Compound Name
(11R)-10-methyl-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3(8),4,6-trien-7-ol
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Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
CN1Cc2c(O)cccc2CN2CC[C@]1(C2)c1ccccc1
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InChI
InChI=1S/C19H22N2O/c1-20-13-17-15(6-5-9-18(17)22)12-21-11-10-19(20,14-21)16-7-3-2-4-8-16/h2-9,22H,10-14H2,1H3/t19-/m0/s1
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InChIKey
LFWPMVMDECZGDD-IBGZPJMESA-N
Physicochemical Property
logP
2.9388
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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
CHEMBL4754549
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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   LI
   LO
   TS