COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538290
Chemical Name: (3alpha,5beta,12alpha)-N-[5-(acetylamino)-2-methoxyphenyl]-3,12-dihydroxycholan-24-amide
Smiles: COc1ccc(cc1NC(=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)NC(=O)C

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Molecular Weight: 554.77
Empirical Formula: C33H50N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.439
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 107
Number of rings: 5

     

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