COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528344
Chemical Name: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylglutamine
Smiles: O=C(NC(C(=O)NC(C(=O)O)CCC(=O)N)C(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 689.8
Empirical Formula: C35H51N3O11

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.581
Rotatable bonds: 17
H-donors: 7
H-acceptors: 11
PSA: 239
Number of rings: 4

     

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