COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527382
Chemical Name: [(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=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: 621.73
Empirical Formula: C35H43NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.088
Rotatable bonds: 11
H-donors: 2
H-acceptors: 9
PSA: 153
Number of rings: 5

     

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