COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438576
Chemical Name: diethyl2-{7-ethoxy-4-[(4-fluorophenoxy)acetyl]-3,3-dimethyl-2-thioxo-3,4-dihydronaphthalen-1(2H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(C2C(=O)COc1ccc(cc1)F)(C)C

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Molecular Weight: 630.78
Empirical Formula: C31H31FO7S3

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 7.337
Rotatable bonds: 11
H-donors: 0
H-acceptors: 7
PSA: 170
Number of rings: 4

     

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