COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528494
Chemical Name: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylproline
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C

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Molecular Weight: 658.79
Empirical Formula: C35H50N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.496
Rotatable bonds: 13
H-donors: 4
H-acceptors: 10
PSA: 187
Number of rings: 5

     

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