COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538243
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3,7,12-trihydroxycholan-24-amide
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)NCCSc1ccc(cc1)Cl)C)C)O)C

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Molecular Weight: 578.26
Empirical Formula: C32H48ClNO4S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 7
H-donors: 4
H-acceptors: 4
PSA: 115
Number of rings: 5

     

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