COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483776
Chemical Name: 2-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate
Smiles: OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)[O-])C)C)O)C

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Saltdata: Na+
Molecular Weight: 514.7
Empirical Formula: C26H44NO7S

Available Amount: 0 mg

Lipinsky:
logP: 0.051
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 155
Number of rings: 4

     

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