COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528278
Chemical Name: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylcysteine
Smiles: SCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)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: 664.82
Empirical Formula: C33H48N2O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.491
Rotatable bonds: 16
H-donors: 5
H-acceptors: 10
PSA: 235
Number of rings: 4

     

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