COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540620
Chemical Name: (3alpha,5beta,12alpha)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,12-dihydroxycholan-24-amide
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)Nc1sc2c(n1)CCC2)C)C)C

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Molecular Weight: 514.77
Empirical Formula: C30H46N2O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 6.826
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 110
Number of rings: 6

     

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