COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538726
Chemical Name: ethyl4-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]piperazine-1-carboxylate
Smiles: CCOC(=O)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: 532.76
Empirical Formula: C31H52N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.652
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 90
Number of rings: 5

     

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