COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538490
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-N-(1,3-benzodioxol-5-ylmethyl)-3,7,12-trihydroxycholan-24-amide
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)NCc1ccc2c(c1)OCO2)C)C)O)C

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Molecular Weight: 541.73
Empirical Formula: C32H47NO6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.503
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 108
Number of rings: 6

     

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