COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064068
Chemical Name: dimethyl2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-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(c3c2cc(C)c(c3)C)C(=O)COc2ccc(cc2)Cl)/S1)C(=O)OC

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Molecular Weight: 604.17
Empirical Formula: C28H26ClNO6S3

Physical State: Dry powder
Available Amount: 556 mg

Lipinsky:
logP: 7.029
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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