COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538412
Chemical Name: (3alpha,5beta,12alpha)-3,12-dihydroxy-24-[4-(pyridin-2-yl)piperazin-1-yl]cholan-24-one
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N1CCN(CC1)c1ccccn1)C)C)C

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Molecular Weight: 537.79
Empirical Formula: C33H51N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.956
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 76
Number of rings: 6

     

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