COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL451028
Chemical Name: 13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one(non-preferredname)
Smiles: C#CC1(O)C=CC2C1(CC)CCC1C2CCC2=CC(=O)CCC12

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Molecular Weight: 310.44
Empirical Formula: C21H26O2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.655
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 37
Number of rings: 4

     

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