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Chemical structure of Antibacterial agent 117

GC65982

Antibacterial agent 117

Also known as 3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Antibacterial agent 117, triazole derivative, is an antibacterial agent· Antibacterial agent 117 has against R· prowazekii MetAP1 (RpMetAP1) activity with an IC50 value of 15 μM· Antibacterial agent 117 also inhibits rickettsial growth and can be used for the research of infection

ChemicalCAS341944-06-7MW240.71FormulaC9H9ClN4S
CAS number
341944-06-7
Molecular weight
240.71
Formula
C9H9ClN4S
Solubility
DMSO ： 100 mg/mL (415·44 mM; Need ultrasonic)
InChIKey
ZNOCPAKIRUVGCS-UHFFFAOYSA-N
Catalogue number
GC65982
Brand
GLPBIO
Computed properties PubChem CID 732052 · XLogP 2.6 · TPSA 92.9 Ų · H-bond donors 2
XLogP
2.6
TPSA
92.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

SMILES C1=CC=C(C(=C1)CSC2=NNC(=N2)N)Cl

Computed descriptors from PubChem (CID 732052), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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