General Information of the Compound
Compound ID
CP0569468
Compound Name
7-methyl-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
    Show/Hide
Structure
Formula
C20H21N3O2
Molecular Weight
335.407
Canonical SMILES
Cc1cccc2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C20H21N3O2/c1-14-4-2-5-15-12-18(22-19(14)15)20(24)21-16-6-3-7-17(13-16)23-8-10-25-11-9-23/h2-7,12-13,22H,8-11H2,1H3,(H,21,24)
    Show/Hide
InChIKey
IVINCTWHMHHDDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.56522
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
57.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 166626845
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: PT02217, Histone-lysine N-methyltransferase SETD2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 2040 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 818 nM