EXEPORFINIUM CHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1912L54M2V

Structure
InChI Key KJLHJQGDBJNMPU-XRFOENPRSA-L
Smile C[N+](C)(C)CCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-].[Cl-]
InChI
InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2/b33-29-,34-30-,35-29-,36-30-,43-39-,43-40-,44-41-,44-42-;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H50Cl2N6O2
Molecular Weight 765.83
AlogP 8.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 75.82
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 52.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Staphylococcal Infections 1 D013203 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3822503
FDA SRS 1912L54M2V
PubChem 9918582
SureChEMBL SCHEMBL584418
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