COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538227
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-[4-(2-methoxyphenyl)piperazin-1-yl]cholan-24-one
Smiles: COc1ccccc1N1CCN(CC1)C(=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: 582.82
Empirical Formula: C35H54N2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.844
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 93
Number of rings: 6

     

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