General Information of the Compound
Compound ID
CP0564396
Compound Name
N,1-dimethyl-5-phenylindole-3-carboxamide
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Formula
C17H16N2O
Molecular Weight
264.328
Canonical SMILES
CNC(=O)c1cn(C)c2ccc(cc12)-c1ccccc1
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InChI
InChI=1S/C17H16N2O/c1-18-17(20)15-11-19(2)16-9-8-13(10-14(15)16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,20)
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InChIKey
DKTJQWNKXXOOGZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2049
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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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ChEMBL ID
CHEMBL4867759
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: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 14000 nM
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