COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528749
Chemical Name: 4-{(5R)-5-[(3aS,5aR,6aR,9aS,10aR,12aR)-3a-hydroxy-8,8,10a,12a-tetramethyl-5-oxo-2,3,3a,5,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-1-yl]-2,2,5-trime
Smiles: CC(=O)OC(CCC1OC(O[C@]1(C)C1CC[C@@]2([C@]1(C)CCC1C2=CC(=O)[C@H]2[C@]1(C)C[C@@H]1OC(O[C@@H]1C2)(C)C)O)(C)C)(C)C

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Molecular Weight: 602.81
Empirical Formula: C35H54O8

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.571
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 100
Number of rings: 6

     

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