COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538723
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-24-[4-(4-methoxyphenyl)piperazin-1-yl]cholan-24-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=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: 566.82
Empirical Formula: C35H54N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.679
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 73
Number of rings: 6

     

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