COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410687
Chemical Name: methyl3-({2-[(1,3-benzodioxol-5-ylmethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)thiophene-2-carboxylate
Smiles: COC(=O)c1sccc1NC1=C(C(=O)C1=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 386.39
Empirical Formula: C18H14N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.164
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 131
Number of rings: 4

     

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