COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538375
Chemical Name: (3alpha,5beta,12alpha)-24-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,12-dihydroxycholan-24-one
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)N1CCC(CC1)(O)c1ccc(cc1)Cl)C)C)C

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Molecular Weight: 586.25
Empirical Formula: C35H52ClNO4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 6.535
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 81
Number of rings: 6

     

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