COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063125
Chemical Name: dimethyl2-{2,2,8-trimethyl-1-[(naphthalen-2-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)C)/S1)C(=O)OC

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Molecular Weight: 605.76
Empirical Formula: C31H27NO6S3

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 7.113
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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