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Antifungal agent 54

CAT: 0931-T75177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T75177-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2422019-78-9
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antifungal agent 54 (compound A05) is a potent inhibitor against Fluconazole-resistant strains, outperforming Miconazole in efficacy. It exhibits significant activity against Candida albicans, with minimum inhibitory concentration (MIC) values ranging from 0.25-1 μg/mL [1].
Smiles
C(CN1C=CN=C1)([Se]CC2=CC(F)=CC=C2)C3=C(Cl)C=C(Cl)C=C3
Molecular Formula
C18H15Cl2FN2Se
Molecular Weight
428.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antifungal agent 54
CAS Number2422019-78-9
PubChem CID162644406
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
Molecular FormulaC18H15Cl2FN2Se
Molecular Weight428.2
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
C1=CC(=CC(=C1)F)C[Se]C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl2FN2Se/c19-14-4-5-16(17(20)9-14)18(10-23-7-6-22-12-23)24-11-13-2-1-3-15(21)8-13/h1-9,12,18H,10-11H2
InChIKey
OCOOBEHTQOJGBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 54
CAS: 2422019-78-9
CID: 162644406
Formula: C18H15Cl2FN2Se
MW: 428.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass427.97615
Monoisotopic Mass427.97615
Topological Polar Surface Area17.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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