COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134717
Chemical Name: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)NN1C(=S)S/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 504.53
Empirical Formula: C19H12N4O7S3

Physical State: Dry powder
Available Amount: 174 mg

Lipinsky:
logP: 2.181
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 215
Number of rings: 4

     

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