COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531993
Chemical Name: (3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-((4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-oneoxalate
Smiles: OCCOCCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

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Saltdata: (COOH)2
Molecular Weight: 422.57
Empirical Formula: C23H38N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.105
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 82
Number of rings: 4

     

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