COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566565
Chemical Name: 4-({4-[(3,4-dimethoxyphenyl)carbonyl]piperazin-1-ium-1-yl}methyl)-2,6-dimethoxyphenolate
Smiles: COc1cc(ccc1OC)C(=O)N1CC[NH+](CC1)Cc1cc(OC)c(c(c1)OC)[O-]

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Saltdata: (COOH)2
Molecular Weight: 416.47
Empirical Formula: C22H28N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.438
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 84
Number of rings: 3

     

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