COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789390
Chemical Name: diethyl2-(2,2,6-trimethyl-1-propanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CC)/S1)C(=O)OCC

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Molecular Weight: 505.68
Empirical Formula: C24H27NO5S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.19
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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