COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528164
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)C

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Molecular Weight: 601.74
Empirical Formula: C33H47NO9

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.839
Rotatable bonds: 13
H-donors: 2
H-acceptors: 9
PSA: 153
Number of rings: 4

     

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