COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029182
Chemical Name: dimethyl2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)C3C(C2=O)CCCC3)/S1)C(=O)OC

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Molecular Weight: 600.74
Empirical Formula: C28H28N2O7S3

Physical State: Dry powder
Available Amount: 541 mg

Lipinsky:
logP: 4.825
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 192
Number of rings: 5

     

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