COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527195
Chemical Name: (3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((4-(4-nitrophenyl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])CC1[C@](C2)(C)CCCC1=C

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Molecular Weight: 439.55
Empirical Formula: C25H33N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.118
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 5

     

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