COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528087
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)asparticacid
Smiles: O=C(NC(C(=O)O)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: 603.67
Empirical Formula: C31H41NO11

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.439
Rotatable bonds: 14
H-donors: 3
H-acceptors: 11
PSA: 190
Number of rings: 4

     

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