COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051205
Chemical Name: ethyl(2Z)-2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-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(C)c(cc3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)C)/S1)c1ccccc1

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Molecular Weight: 654.83
Empirical Formula: C35H30N2O5S3

Physical State: Dry powder
Available Amount: 366 mg

Lipinsky:
logP: 9.542
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 166
Number of rings: 6

     

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