COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL470860
Chemical Name: 24-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-3,7-dihydroxycholan-24-one
Smiles: OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)C)C)O)C

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Molecular Weight: 622.85
Empirical Formula: C37H54N2O6

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 5.26
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 99
Number of rings: 7

     

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