COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528063
Chemical Name: 4-{[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCC(CC1)C(=O)O

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Molecular Weight: 599.72
Empirical Formula: C33H45NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.547
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 164
Number of rings: 5

     

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