COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL422343
Chemical Name: 4-(2-carboxy-4-{[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetyl]amino}phenyl)-1-methylpiperazin-1-ium
Smiles: COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1ccc(c(c1)C(=O)O)N1CC[NH+](CC1)C

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Saltdata: CH3COO-
Molecular Weight: 470.5
Empirical Formula: C24H28N3O7

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.315
Rotatable bonds: 6
H-donors: 3
H-acceptors: 7
PSA: 118
Number of rings: 4

     

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