General Information of the Compound
Compound ID
CP0245471
Compound Name
CHEBI:81724
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Synonyms
1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE
4,4'-(1-Triazene-1,3-diyl)bis-benzenecarboximidamide
4,4'-(1-Triazene-1,3-diyl)bisbenzenecarboximidamide
4,4'-(Diazoamino)benzamidine
4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
536-71-0
Azidin
Benzenecarboximidamide, 4,4'-(1-triazene-1,3-diyl)bis-
Bevenil
C14H15N7
CHEBI:81724
DIMINAZENE
Diminazene
Diminazene [INN:BAN]
Diminazeno
Diminazeno [INN-Spanish]
Diminazenum
Diminazenum [INN-Latin]
Diminazine
EINECS 208-644-6
Pirocide
UNII-Y5G36EEA5Z
Y5G36EEA5Z
berenil
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Structure
Formula
C14H15N7
Molecular Weight
281.323
Canonical SMILES
NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
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InChI
InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
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InChIKey
XNYZHCFCZNMTFY-UHFFFAOYSA-N
CAS
536-71-0
Physicochemical Property
logP
2.36554
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
136.49
Hydrogen Bond Donor Count
5
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: 2354
SID: 14948161
ChEMBL ID
CHEMBL35241
DrugBank ID
DB03608
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: PT06880, Acid-sensing ion channel 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 56900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Diminazene )
Drug Name Diminazene
Target(s)
Diamine oxidase (AOC1)
 Target Info 
Inhibitor