COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789009
Chemical Name: diethyl2-{2,2,8-trimethyl-1-[(naphthalen-1-yloxy)acetyl]-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)COc2cccc3c2cccc3)C)/S1)C(=O)OCC

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Molecular Weight: 633.81
Empirical Formula: C33H31NO6S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.176
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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