COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007749
Chemical Name: 4-[({6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}amino)methyl]benzoicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NCc1ccc(cc1)C(=O)O

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Molecular Weight: 692.85
Empirical Formula: C39H52N2O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 14
H-donors: 4
H-acceptors: 9
PSA: 176
Number of rings: 5

     

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