General Information of the Compound
Compound ID
CP0356560
Compound Name
(R)-6-Isopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
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Structure
Formula
C19H21NO
Molecular Weight
279.383
Canonical SMILES
CC(C)N1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
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InChI
InChI=1S/C19H21NO/c1-12(2)20-10-9-13-5-3-7-15-18(13)16(20)11-14-6-4-8-17(21)19(14)15/h3-8,12,16,21H,9-11H2,1-2H3/t16-/m1/s1
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InChIKey
UAKHJBZICLWRCE-MRXNPFEDSA-N
Physicochemical Property
logP
3.9229
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 10588763
SID: 15617623
ChEMBL ID
CHEMBL333725
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 = 1010 nM
   TI
   LI
   LO
   TS