COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526685
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-[(pyridin-2-ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccccn1)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: 552.67
Empirical Formula: C31H40N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.855
Rotatable bonds: 10
H-donors: 3
H-acceptors: 7
PSA: 142
Number of rings: 5

     

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