COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538336
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-N-(3,4,5-trifluorophenyl)cholan-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)Nc1cc(F)c(c(c1)F)F)C)C)C

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Molecular Weight: 521.66
Empirical Formula: C30H42F3NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.336
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 69
Number of rings: 5

     

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