COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002052
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-{[(3S)-2-oxoazepan-3-yl]amino}butanoate
Smiles: O=C(N[C@H]1CCCCNC1=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 556.7
Empirical Formula: C31H44N2O7

Available Amount: 0 mg

Lipinsky:
logP: 2.519
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 138
Number of rings: 5

     

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