COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033316
Chemical Name: methyl6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc2c(c1Cl)OCO2)C#N)N

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Molecular Weight: 406.78
Empirical Formula: C18H15ClN2O7

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 2.177
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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