COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546315
Chemical Name: 3-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butyl}-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Smiles: O=C1N(CCCCN2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)C2(C(C1CC2)(C)C)C

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Saltdata: 2 HCl
Molecular Weight: 455.6
Empirical Formula: C26H37N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.675
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 62
Number of rings: 5

     

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