COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137078
Chemical Name: (5E)-3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C(=O)N1NC1=NS(=O)(=O)c2c1cccc2

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Molecular Weight: 446.49
Empirical Formula: C17H10N4O5S3

Physical State: Dry powder
Available Amount: 808 mg

Lipinsky:
logP: 3.064
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 182
Number of rings: 4

     

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