COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539223
Chemical Name: methyl{1-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]piperidin-4-yl}acetate
Smiles: COC(=O)CC1CCN(CC1)C(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[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: 547.78
Empirical Formula: C32H53NO6

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.352
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 107
Number of rings: 5

     

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