COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026967
Chemical Name: dimethyl2-{1-[(2,4-dichlorophenyl)carbonyl]-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/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2Cl)Cl)C)/S1)C(=O)OC

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Molecular Weight: 608.59
Empirical Formula: C27H23Cl2NO5S3

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 6.848
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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