COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564943
Chemical Name: methyl1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyprolinate
Smiles: COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)O

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Molecular Weight: 615.72
Empirical Formula: C33H45NO10

Physical State: Liquid
Available Amount: 127 mg

Lipinsky:
logP: 3.104
Rotatable bonds: 11
H-donors: 1
H-acceptors: 10
PSA: 153
Number of rings: 5

     

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