COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK954173
Chemical Name: 3,3'-(piperazine-1,4-diyldibut-2-yne-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione)
Smiles: O=C1N(CC#CCN2CCN(CC2)CC#CCN2C(=O)C3CCC(C2=O)(C3(C)C)C)C(=O)C2(C(C1CC2)(C)C)C

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Saltdata: 2HCl
Molecular Weight: 548.73
Empirical Formula: C32H44N4O4

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 5.392
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 5

     

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