COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527161
Chemical Name: 3-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C

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Molecular Weight: 671.83
Empirical Formula: C37H53NO10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 13
H-donors: 2
H-acceptors: 10
PSA: 162
Number of rings: 5

     

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