COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527605
Chemical Name: (1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-((4-(4-nitrophenyl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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Molecular Weight: 455.55
Empirical Formula: C25H33N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.661
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 91
Number of rings: 6

     

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