COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536495
Chemical Name: (3alpha,5beta,12alpha)-N-(2,4-dimethoxyphenyl)-3,12-dihydroxycholan-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]2CC[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 527.74
Empirical Formula: C32H49NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.817
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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