COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530727
Chemical Name: 5-{[4-hydroxy-5-(4-methylphenyl)-2,6-dioxo-1,2,5,6-tetrahydropyridin-3-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-3-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyridin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCCCC1)C(C1=C(O)C(C(=O)NC1=O)c1ccc(cc1)C)C1=C([O-])C(C(=O)NC1=O)c1ccc(cc1)C

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Molecular Weight: 649.74
Empirical Formula: C38H39N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.003
Rotatable bonds: 7
H-donors: 4
H-acceptors: 7
PSA: 149
Number of rings: 6

     

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