COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040319
Chemical Name: (8E)-8-{[4-(methoxycarbonyl)phenyl]imino}-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)-5,8-dihydronaphthalen-1-olate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\C=C(N2CC[NH+](CC2)c2ccccc2)C(=O)c2c1c([O-])ccc2

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Molecular Weight: 467.52
Empirical Formula: C28H25N3O4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.887
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 86
Number of rings: 5

     

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