COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK330521
Chemical Name: dimethyl(2E)-2-{[(E)-2-(dimethylamino)-1-(4-nitrophenyl)-2-phenylethenyl]sulfanyl}but-2-enedioate
Smiles: COC(=O)/C(=C\C(=O)OC)/S/C(=C(\c1ccccc1)/N(C)C)/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 442.49
Empirical Formula: C22H22N2O6S

Available Amount: 0 mg

Lipinsky:
logP: 4.94
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 2

     

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