COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528594
Chemical Name: 3-[4-(4-cyclohexylpiperazin-1-yl)but-2-yn-1-yl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Smiles: O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)C2(C(C1CC2)(C)C)C

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Saltdata: 2 HCl
Molecular Weight: 399.58
Empirical Formula: C24H37N3O2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.451
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 4

     

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