COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK067999
Chemical Name: 4-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]phenyl4-tert-butylbenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C)/C(=O)c1ccccc1

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Molecular Weight: 409.48
Empirical Formula: C27H23NO3

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 6.725
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 3

     

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