COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538357
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-24-(3,4-dihydroisoquinolin-2(1H)-yl)-3,7,12-trihydroxycholan-24-one
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)N1CCc2c(C1)cccc2)C)C)O)C

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Molecular Weight: 523.76
Empirical Formula: C33H49NO4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.515
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 81
Number of rings: 6

     

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