COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528568
Chemical Name: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyltryptophan
Smiles: O=C(NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)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: 747.89
Empirical Formula: C41H53N3O10

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.343
Rotatable bonds: 16
H-donors: 6
H-acceptors: 10
PSA: 212
Number of rings: 6

     

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