COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137046
Chemical Name: diethyl2-{1-[(2-chlorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2Cl)/S1)C(=O)OCC

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Molecular Weight: 574.14
Empirical Formula: C27H24ClNO5S3

Physical State: Dry powder
Available Amount: 572 mg

Lipinsky:
logP: 6.214
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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