COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245773
Chemical Name: N-[2-methyl-1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]-1,3-benzodioxole-5-carboxamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 497.53
Empirical Formula: C23H23N5O6S

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 3.399
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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