COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524829
Chemical Name: methylN-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)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: 662.78
Empirical Formula: C37H46N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.607
Rotatable bonds: 13
H-donors: 4
H-acceptors: 9
PSA: 172
Number of rings: 6

     

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