3,4-dichlorobenzamil   

GtoPdb Ligand ID: 4597

Synonyms: 3',4'-dichlorobenzamil  | GNF-Pf-1778
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 145.3
Molecular weight 387.02
XLogP 2.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=NCc1ccc(c(c1)Cl)Cl)NC(=O)c1nc(Cl)c(nc1N)N
Isomeric SMILES N/C(=N\Cc1ccc(c(c1)Cl)Cl)/NC(=O)c1nc(Cl)c(nc1N)N
InChI InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)
InChI Key OSHKWEFWXCCNJR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3,5-diamino-6-chloro-N-[(E)-N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Synonyms
3',4'-dichlorobenzamil  | GNF-Pf-1778
Database Links
ChEMBL Ligand CHEMBL587714
GtoPdb PubChem SID 178101317
PubChem CID 114771
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