COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028594
Chemical Name: ethyl(2Z)-2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)CCC2=O)/S1)c1ccccc1

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Molecular Weight: 622.79
Empirical Formula: C31H30N2O6S3

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 6.523
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 175
Number of rings: 5

     

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