COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098756
Chemical Name: (2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCC(C)C)/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 399.83
Empirical Formula: C20H18ClN3O4

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 5.691
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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