COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994931
Chemical Name: 6-[(5E)-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2[N+](=O)[O-])C)/C1=O

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Molecular Weight: 460.53
Empirical Formula: C21H20N2O6S2

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 3.838
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 173
Number of rings: 3

     

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