COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035156
Chemical Name: (2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-cyano-N-[3-(methylsulfanyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/C(=O)Nc1cccc(c1)SC

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Molecular Weight: 475.52
Empirical Formula: C25H21N3O5S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.403
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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