COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472737
Chemical Name: methyl2-{[(2E)-2-cyano-3-{3-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1ccccc1)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 432.46
Empirical Formula: C23H16N2O5S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 6.167
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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