COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207917
Chemical Name: ethyl6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCl)OC(=C(C1c1cc(OC)c2c(c1)OCO2)C#N)N

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Molecular Weight: 392.8
Empirical Formula: C18H17ClN2O6

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 2.395
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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