General Information of the Compound
Compound ID
CP0275196
Compound Name
(R)-6-Benzyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
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Structure
Formula
C23H21NO
Molecular Weight
327.427
Canonical SMILES
Oc1cccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c12
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InChI
InChI=1S/C23H21NO/c25-21-11-5-9-18-14-20-22-17(8-4-10-19(22)23(18)21)12-13-24(20)15-16-6-2-1-3-7-16/h1-11,20,25H,12-15H2/t20-/m1/s1
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InChIKey
JYDCTFIFEUMCFH-HXUWFJFHSA-N
Physicochemical Property
logP
4.7147
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 10687667
SID: 15721362
ChEMBL ID
CHEMBL119384
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