COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553586
Chemical Name: 3,5,5-trimethyl-8-methylidene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl3,5-dinitrobenzoate
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC1CC(=C)C2C(=C(CC2)C)CC1(C)C

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Molecular Weight: 400.43
Empirical Formula: C21H24N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.259
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 3

     

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