COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700501
Chemical Name: benzyl4-({(2E)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoate
Smiles: O=C(OCc1ccccc1)CCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1

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Molecular Weight: 612.7
Empirical Formula: C34H32N2O7S

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 5.251
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 4

     

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