General Information of the Compound
Compound ID
CP0535302
Compound Name
1,2,3,4-Tetrahydro-carbazol-4a-ol
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Structure
Formula
C12H13NO
Molecular Weight
187.242
Canonical SMILES
OC12CCCCC1=Nc1ccccc21
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InChI
InChI=1S/C12H13NO/c14-12-8-4-3-7-11(12)13-10-6-2-1-5-9(10)12/h1-2,5-6,14H,3-4,7-8H2
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InChIKey
MJRMOJRZUNJPCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5343
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 604454
SID: 15761733
ChEMBL ID
CHEMBL72166
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 22000 nM
   TI
   LI
   LO
   TS