COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528143
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 536.67
Empirical Formula: C31H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.169
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 122
Number of rings: 5

     

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