COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536413
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-N-(2,4-dimethoxyphenyl)-3,7,12-trihydroxycholan-24-amide
Smiles: COc1cc(OC)ccc1NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 543.74
Empirical Formula: C32H49NO6

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 3.772
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 108
Number of rings: 5

     

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