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Chemical structure of CBS1117

GC62116

CBS1117

Also known as 2,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

CBS1117 is a virus entry inhibitor with an IC50 of 70 nM for influenza A virus, A/Puerto Rico/8/34 (H1N1)

ChemicalCAS959245-08-0MW315.24FormulaC15H20Cl2N2O
CAS number
959245-08-0
Molecular weight
315.24
Formula
C15H20Cl2N2O
Solubility
DMSO ： 250 mg/mL (793·05 mM; Need ultrasonic)
InChIKey
OUZZSIOQTSNTTI-UHFFFAOYSA-N
Catalogue number
GC62116
Brand
GLPBIO
Computed properties PubChem CID 25236799 · XLogP 3.8 · TPSA 32.3 Ų · H-bond donors 1
XLogP
3.8
TPSA
32.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20

SMILES CC(C)N1CCC(CC1)NC(=O)C2=C(C=CC=C2Cl)Cl

Computed descriptors from PubChem (CID 25236799), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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