COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380400
Chemical Name: (2E,5Z)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylimino)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
Smiles: O=C1/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/S/C(=N/c2ccc3c(c2)OCO3)/N1c1ccc2c(c1)OCO2

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Molecular Weight: 555.52
Empirical Formula: C28H17N3O8S

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 6.409
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 153
Number of rings: 7

     

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