COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207852
Chemical Name: ethyl6-amino-4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1ccc2c(c1)OCO2)C#N)N

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Molecular Weight: 362.77
Empirical Formula: C17H15ClN2O5

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 2.229
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 103
Number of rings: 3

     

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