COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524846
Chemical Name: (3S,10R,13R)-5,6-dibromo-10,13-dimethyl-17-octylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ylnonadecanoate(non-preferredname)
Smiles: CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(C1)(Br)C(Br)CC1C2CC[C@]2(C1CCC2CCCCCCCC)C)C

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Molecular Weight: 826.96
Empirical Formula: C46H82Br2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 20.695
Rotatable bonds: 25
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 4

     

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