COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527256
Chemical Name: methyl1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)prolinate
Smiles: COC(=O)C1CCCN1C(=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: 599.72
Empirical Formula: C33H45NO9

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.377
Rotatable bonds: 10
H-donors: 0
H-acceptors: 9
PSA: 133
Number of rings: 5

     

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