COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL036673
Chemical Name: (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl{[2-(diethylamino)ethyl]sulfanyl}acetate
Smiles: CCN(CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@@H]([C@]23[C@H]([C@@]1(C)[C@H](C)CC2)C(=O)CC3)C)CC

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Saltdata: HOOCCHCHCOOH
Molecular Weight: 493.76
Empirical Formula: C28H47NO4S

Physical State: Dry powder
Available Amount: 1002 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 0
H-acceptors: 0
PSA: 0
Number of rings: 0

     

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