COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026997
Chemical Name: dimethyl2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-6-methoxy-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\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)C)/S1)C(=O)OC

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Molecular Weight: 638.74
Empirical Formula: C30H26N2O8S3

Physical State: Dry powder
Available Amount: 426 mg

Lipinsky:
logP: 6.007
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 202
Number of rings: 5

     

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