COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019133
Chemical Name: methyl2-[({(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CC2S/C(=N/N=C/c3ccc(cc3)[N+](=O)[O-])/NC2=O)sc2c1CCCC2

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Molecular Weight: 515.57
Empirical Formula: C22H21N5O6S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.534
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 208
Number of rings: 4

     

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