COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061552
Chemical Name: dimethyl2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CN1C(=O)C2C(C1=O)CCCC2)(C)C

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Molecular Weight: 644.79
Empirical Formula: C30H32N2O8S3

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 5.232
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 202
Number of rings: 5

     

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