COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317999
Chemical Name: (5E)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-{[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1Cc1cc2OCOc2cc1Cl

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Molecular Weight: 500.87
Empirical Formula: C22H13ClN2O8S

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 5.482
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 160
Number of rings: 5

     

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