COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK438685
Chemical Name: methyl2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-5-phenylthiophene-3-carboxylate
Smiles: COC(=O)c1cc(sc1NC(=S)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 455.52
Empirical Formula: C21H17N3O5S2

Physical State: Dry powder
Available Amount: 774 mg

Lipinsky:
logP: 5.342
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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