COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530995
Chemical Name: (2S,5aR,6aR,9S,9aR)-9-([1,4'-bipiperidin]-1'-ylmethyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-oneoxalate
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)C1OC31[C@](C2)(C)CCC[C@@H]3C

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Saltdata: (COOH)2
Molecular Weight: 416.6
Empirical Formula: C25H40N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.329
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 6

     

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