COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371895
Chemical Name: 1-(2-chloro-5-nitrophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1cc(OC)cc(c1)c1nnc([nH]1)SCC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 434.86
Empirical Formula: C18H15ClN4O5S

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 4.739
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 3

     

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