COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538447
Chemical Name: (3alpha,5beta,12alpha)-N-(3,3-diphenylpropyl)-3,12-dihydroxycholan-24-amide
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCC(c1ccccc1)c1ccccc1)C)C)C

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Molecular Weight: 585.87
Empirical Formula: C39H55NO3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 8.033
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 69
Number of rings: 6

     

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