COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565148
Chemical Name: N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C

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Saltdata: H2O
Molecular Weight: 465.63
Empirical Formula: C26H43NO6

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 1.488
Rotatable bonds: 6
H-donors: 5
H-acceptors: 6
PSA: 127
Number of rings: 4

     

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