COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538304
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(3,4,5-trimethoxyphenyl)cholan-24-amide
Smiles: COc1cc(NC(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)cc(c1OC)OC

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Molecular Weight: 573.77
Empirical Formula: C33H51NO7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.025
Rotatable bonds: 6
H-donors: 4
H-acceptors: 7
PSA: 117
Number of rings: 5

     

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