General Information of the Compound
Compound ID
CP0383921
Compound Name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-indole-2-carboxamide
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Structure
Formula
C15H15N5O
Molecular Weight
281.319
Canonical SMILES
Nc1nc(\C=C\CNC(=O)c2cc3ccccc3[nH]2)c[nH]1
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InChI
InChI=1S/C15H15N5O/c16-15-18-9-11(19-15)5-3-7-17-14(21)13-8-10-4-1-2-6-12(10)20-13/h1-6,8-9,20H,7H2,(H,17,21)(H3,16,18,19)/b5-3+
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InChIKey
LCRLPZUQHUDMCT-HWKANZROSA-N
Physicochemical Property
logP
1.9164
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
99.59
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
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: 90675942
ChEMBL ID
CHEMBL3261430
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: PT02933, Potassium voltage-gated channel subfamily A member 1
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
Protein ID: PT03487, Potassium voltage-gated channel subfamily A member 2
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
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 = 21000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05924, Potassium voltage-gated channel subfamily A member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 13000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
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
Protein ID: PT04271, Potassium voltage-gated channel subfamily A member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 14000 nM
   TI
   LI
   LO
   TS