COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL217391
Chemical Name: methyl2-{[(4-methylphenyl)carbonyl]amino}-3,3-bis[(4-methylphenyl)sulfanyl]prop-2-enoate
Smiles: COC(=O)/C(=C(\Sc1ccc(cc1)C)/Sc1ccc(cc1)C)/NC(=O)c1ccc(cc1)C

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Molecular Weight: 463.62
Empirical Formula: C26H25NO3S2

Available Amount: 0 mg

Lipinsky:
logP: 4.657
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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