COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524446
Chemical Name: (3S,3aS,4S,4aR,5S,7S,8R,9aS)-4-hydroxy-4a,8-dimethyl-2-oxo-3-((4-phenylpiperazin-1-yl)methyl)dodecahydroazuleno[6,5-b]furan-5,7-diyldiacetate
Smiles: CC(=O)O[C@H]1C[C@@H](C2[C@]1(C)[C@@H](O)[C@H]1[C@H](C[C@H]2C)OC(=O)C1CN1CCN(CC1)c1ccccc1)OC(=O)C

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Molecular Weight: 528.65
Empirical Formula: C29H40N2O7

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 5

     

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