COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524428
Chemical Name: S-[(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]O-(4-nitrophenyl)carbonothioate(non-preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)Oc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 567.83
Empirical Formula: C34H49NO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 13.824
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 5

     

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