COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL557822
Chemical Name: (10R,13S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one(non-preferredname)
Smiles: C#C[C@]1(O)CCC2[C@]1(CC)CCC1C2CCC2=CC(=O)CC[C@H]12

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Molecular Weight: 312.45
Empirical Formula: C21H28O2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.916
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 37
Number of rings: 4

     

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