COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528628
Chemical Name: (3S,3aR,4aS,8aR,9aR)-3-((4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-oneoxalate
Smiles: OCCOCCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C

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Saltdata: (COOH)2
Molecular Weight: 406.57
Empirical Formula: C23H38N2O4

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 1.285
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 62
Number of rings: 4

     

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