General Information of the Compound
Compound ID
CP0108007
Compound Name
1,3-dimethyl-2-pyridin-3-ylindole
    Show/Hide
Structure
Formula
C15H14N2
Molecular Weight
222.291
Canonical SMILES
Cc1c(-c2cccnc2)n(C)c2ccccc12
    Show/Hide
InChI
InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
    Show/Hide
InChIKey
OYMBIOMXTNJALB-UHFFFAOYSA-N
Physicochemical Property
logP
3.54872
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 51032277
SID: 117692350
ChEMBL ID
CHEMBL3747584
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: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000263 NCI-H295R Homo sapiens (Human)  1
1
IC50 = 9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.4 nM