COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104287
Chemical Name: (2E)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-nitro-4-(4H-1,2,4-triazol-3-ylsulfanyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])Sc1nnc[nH]1)/C(=O)Nc1ccc(cc1C)C

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Molecular Weight: 420.45
Empirical Formula: C20H16N6O3S

Physical State: Dry powder
Available Amount: 269 mg

Lipinsky:
logP: 4.24
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 165
Number of rings: 3

     

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