COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL470868
Chemical Name: 24-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one
Smiles: OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C)C)O)C

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Molecular Weight: 594.84
Empirical Formula: C36H54N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.963
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 82
Number of rings: 7

     

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