COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564183
Chemical Name: 2,6-dimethoxy-4-({4-[(naphthalen-2-yloxy)acetyl]piperazin-1-ium-1-yl}methyl)phenolate
Smiles: COc1cc(C[NH+]2CCN(CC2)C(=O)COc2ccc3c(c2)cccc3)cc(c1[O-])OC

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Saltdata: (COOH)2
Molecular Weight: 436.51
Empirical Formula: C25H28N2O5

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.287
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 4

     

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