General Information of the Compound
Compound ID
CP0383207
Compound Name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxamide
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Structure
Formula
C12H14BrN5O
Molecular Weight
324.182
Canonical SMILES
Cc1[nH]c(cc1Br)C(=O)NC\C=C\c1c[nH]c(N)n1
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InChI
InChI=1S/C12H14BrN5O/c1-7-9(13)5-10(17-7)11(19)15-4-2-3-8-6-16-12(14)18-8/h2-3,5-6,17H,4H2,1H3,(H,15,19)(H3,14,16,18)/b3-2+
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InChIKey
JEHHUBJAINFZKG-NSCUHMNNSA-N
Physicochemical Property
logP
1.83412
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
99.59
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 145965116
ChEMBL ID
CHEMBL4213446
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 = 25000 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 = 12000 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 = 11000 nM
   TI
   LI
   LO
   TS