COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536418
Chemical Name: (3alpha,5beta,12alpha)-N-[4-(acetylamino)phenyl]-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)Nc1ccc(cc1)NC(=O)C)C)C)C

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Molecular Weight: 524.74
Empirical Formula: C32H48N2O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.492
Rotatable bonds: 4
H-donors: 4
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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