COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK406874
Chemical Name: 1,3-benzodioxol-5-ylmethyl2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: O=C1NC(=C(C(C1)c1ccc(cc1)[N+](=O)[O-])C(=O)OCc1ccc2c(c1)OCO2)C

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Molecular Weight: 410.38
Empirical Formula: C21H18N2O7

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 3.342
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 4

     

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