COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324523
Chemical Name: 3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-2,3,3a,5,6,7,9,9a-octahydro-8H-thieno[3,2-b]chromen-8-one1,1-dioxide
Smiles: Cc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)OC2(C1S(=O)(=O)CC2[N+](=O)[O-])C

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Molecular Weight: 419.5
Empirical Formula: C21H25NO6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.82
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 4

     

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