COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525296
Chemical Name: (8xi,9xi,14xi,17alpha)-3-[(4-O-acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
Smiles: COC1CC(OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)C#N)OC(C1OC(=O)C)C

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Molecular Weight: 587.71
Empirical Formula: C32H45NO9

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.484
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 144
Number of rings: 6

     

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