COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536425
Chemical Name: methylN-[(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-24-oxocholan-24-yl]glycinate
Smiles: COC(=O)CNC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 463.66
Empirical Formula: C27H45NO5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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