COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085006
Chemical Name: diethyl2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3cccc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)OC)/S1)C(=O)OCC

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Molecular Weight: 652.77
Empirical Formula: C31H28N2O8S3

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 7.144
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 202
Number of rings: 5

     

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