COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789043
Chemical Name: dimethyl2-[(3Z)-3-[(4-fluorobenzyl)imino]-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccccc3NC(/C2=N\Cc2ccc(cc2)F)(C)C)/S1)C(=O)OC

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Molecular Weight: 498.6
Empirical Formula: C25H23FN2O4S2

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 5.649
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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