General Information of the Compound
Compound ID
CP0402454
Compound Name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-2,3-dihydro-1H-indole-2-carboxamide
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Structure
Formula
C15H17N5O
Molecular Weight
283.335
Canonical SMILES
Nc1nc(\C=C\CNC(=O)C2Cc3ccccc3N2)c[nH]1
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InChI
InChI=1S/C15H17N5O/c16-15-18-9-11(19-15)5-3-7-17-14(21)13-8-10-4-1-2-6-12(10)20-13/h1-6,9,13,20H,7-8H2,(H,17,21)(H3,16,18,19)/b5-3+
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InChIKey
SDSWCBLIGYYEFE-HWKANZROSA-N
Physicochemical Property
logP
1.1581
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
95.83
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 145976644
ChEMBL ID
CHEMBL4206278
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS