COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538224
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-N-[3-(methylsulfanyl)phenyl]cholan-24-amide
Smiles: CSc1cccc(c1)NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 513.79
Empirical Formula: C31H47NO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.084
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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