COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700226
Chemical Name: 2-({(2E)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)ethylacetate
Smiles: CC(=O)OCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1

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Molecular Weight: 522.58
Empirical Formula: C27H26N2O7S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 3.283
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 3

     

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