COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536435
Chemical Name: (3alpha,5beta,7beta,8xi)-N-(4-acetylphenyl)-3,7-dihydroxycholan-24-amide
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1ccc(cc1)C(=O)C)C)C)O)C

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Molecular Weight: 509.73
Empirical Formula: C32H47NO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 6.184
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 86
Number of rings: 5

     

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