General Information of the Compound
Compound ID
CP0555710
Compound Name
N,N,1-trimethyl-5-phenylindole-3-carboxamide
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Formula
C18H18N2O
Molecular Weight
278.355
Canonical SMILES
CN(C)C(=O)c1cn(C)c2ccc(cc12)-c1ccccc1
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InChI
InChI=1S/C18H18N2O/c1-19(2)18(21)16-12-20(3)17-10-9-14(11-15(16)17)13-7-5-4-6-8-13/h4-12H,1-3H3
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InChIKey
LBHHSKRIPMBTOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.5471
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
25.24
Hydrogen Bond Donor Count
0
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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ChEMBL ID
CHEMBL4863805
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 > 30000 nM
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