COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL342710
Chemical Name: (5Z)-2-(4-methylpiperazin-1-yl)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.17
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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