General Information of the Compound
Compound ID
CP0381028
Compound Name
N-(2,3-dihydroindole-1-carboximidoyl)-4-methylbenzamide
    Show/Hide
Structure
Formula
C17H17N3O
Molecular Weight
279.343
Canonical SMILES
Cc1ccc(cc1)C(=O)NC(=N)N1CCc2ccccc12
    Show/Hide
InChI
InChI=1S/C17H17N3O/c1-12-6-8-14(9-7-12)16(21)19-17(18)20-11-10-13-4-2-3-5-15(13)20/h2-9H,10-11H2,1H3,(H2,18,19,21)
    Show/Hide
InChIKey
YPVISEZUMCHVIE-UHFFFAOYSA-N
Physicochemical Property
logP
2.72229
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
56.19
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11780892
SID: 16891010
ChEMBL ID
CHEMBL324435
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: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 8810 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS