COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789360
Chemical Name: ethyl(2Z)-2-(1-butanoyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCCC(=O)N1c2ccc(cc2/C(=C/2\SC(=C(S2)C(=O)OCC)c2ccccc2)/C(=S)C1(C)C)C

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Molecular Weight: 523.74
Empirical Formula: C28H29NO3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.496
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 4

     

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