COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043285
Chemical Name: 3-[4-(4-benzylpiperazin-1-yl)butyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Smiles: O=C1N(CCCCN2CCN(CC2)Cc2ccccc2)C(=O)C2(C(C1CC2)(C)C)C

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Saltdata: 2 HCl
Molecular Weight: 411.59
Empirical Formula: C25H37N3O2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.813
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 4

     

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