COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526647
Chemical Name: (1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(2,3-dimethylphenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-onehydrochloride
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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Saltdata: HCl
Molecular Weight: 438.61
Empirical Formula: C27H38N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.132
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 6

     

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