COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL405749
Chemical Name: (2E)-N-benzyl-2-cyano-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)NCc1ccccc1

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Molecular Weight: 406.42
Empirical Formula: C19H14N6O3S

Physical State: Dry powder
Available Amount: 718 mg

Lipinsky:
logP: 3.033
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 165
Number of rings: 3

     

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