COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362392
Chemical Name: (2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-cyano-N-(2-methylcyclohexyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/C(=O)NC1CCCCC1C

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 5.156
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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