COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538641
Chemical Name: (3alpha,5beta,12alpha)-N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-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)NCCSc1ccc(cc1)Cl)C)C)C

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Molecular Weight: 562.26
Empirical Formula: C32H48ClNO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.408
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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