General Information of the Compound
Compound ID
CP0194837
Compound Name
(R)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
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Structure
Formula
C16H15NO
Molecular Weight
237.302
Canonical SMILES
Oc1cccc2C[C@H]3NCCc4cccc(c34)-c12
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InChI
InChI=1S/C16H15NO/c18-14-6-2-4-11-9-13-15-10(7-8-17-13)3-1-5-12(15)16(11)14/h1-6,13,17-18H,7-9H2/t13-/m1/s1
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InChIKey
MHKSWTAPYIFAAP-CYBMUJFWSA-N
Physicochemical Property
logP
2.8021
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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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PubChem ID
CID: 10490043
SID: 15514520
ChEMBL ID
CHEMBL332332
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS