COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536501
Chemical Name: (3alpha,5beta,7beta,8xi)-24-(4-acetylpiperazin-1-yl)-3,7-dihydroxycholan-24-one
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N1CCN(CC1)C(=O)C)C)C)O)C

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Molecular Weight: 502.74
Empirical Formula: C30H50N2O4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.969
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 81
Number of rings: 5

     

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