COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333503
Chemical Name: {1,4-dioxo-3-[4-(3-phenylpropyl)pyridinium-1-yl]-1,4-dihydronaphthalen-2-yl}(thiophen-2-ylsulfonyl)azanide
Smiles: O=C1C(=C([n+]2ccc(cc2)CCCc2ccccc2)C(=O)c2c1cccc2)[N-]S(=O)(=O)c1cccs1

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Molecular Weight: 514.63
Empirical Formula: C28H22N2O4S2

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 5

     

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