COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556432
Chemical Name: 2-[(E)-{2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

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Molecular Weight: 519.65
Empirical Formula: C27H25N3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.451
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 112
Number of rings: 5

     

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