COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526404
Chemical Name: 3-{2-[(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]ethyl}-5-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC3[C@]1(C)CC(O)C1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O

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Molecular Weight: 678.78
Empirical Formula: C37H46N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.734
Rotatable bonds: 14
H-donors: 5
H-acceptors: 10
PSA: 192
Number of rings: 6

     

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