COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527229
Chemical Name: methyl(5xi,9xi,13xi,17xi,18xi)-3-{[(4-methylphenyl)sulfonyl]oxy}lup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OS(=O)(=O)c1ccc(cc1)C)C(=C)C

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Molecular Weight: 624.93
Empirical Formula: C38H56O5S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 11.422
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 78
Number of rings: 6

     

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