COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700477
Chemical Name: benzylN-{(2E)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}alaninate
Smiles: O=C(C(NC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1)C)OCc1ccccc1

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Molecular Weight: 598.68
Empirical Formula: C33H30N2O7S

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 5.612
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 4

     

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