COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553179
Chemical Name: (8xi,9xi,14xi,16alpha,17xi)-16-methyl-20-oxo-3-{[3-(piperidinium-1-yl)propanoyl]oxy}pregn-5-ene
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)C)C1)C)CC[NH+]1CCCCC1

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Saltdata: Cl-
Molecular Weight: 470.72
Empirical Formula: C30H48NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.286
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 5

     

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