COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789157
Chemical Name: dimethyl2-{1-[(4-fluorophenyl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)Cc2ccc(cc2)F)/S1)C(=O)OC

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Molecular Weight: 557.69
Empirical Formula: C27H24FNO5S3

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 6.478
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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