General Information of the Compound
Compound ID
CP0951183
Compound Name
2,3,4,9-tetrahydro-1H-carbazol-3-amine
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Structure
Formula
C12H14N2
Molecular Weight
186.258
Canonical SMILES
NC1CCc2[nH]c3ccccc3c2C1
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InChI
InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2
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InChIKey
UFRCIKMHUAOIAT-UHFFFAOYSA-N
Physicochemical Property
logP
1.9839
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
41.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
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: 12361786
SID: 99210827
ChEMBL ID
CHEMBL3304960
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: PT05586, Nuclear receptor subfamily 2 group E member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 67000 nM
   TI
   LI
   LO
   TS
2
EC50 > 100000 nM
   TI
   LI
   LO
   TS