COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028952
Chemical Name: tetramethyl9'-ethoxy-5',5'-dimethyl-6'-[(naphthalen-2-yloxy)acetyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOc1ccc2c(c1)C1=C(C(N2C(=O)COc2ccc3c(c2)cccc3)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 777.89
Empirical Formula: C38H35NO11S3

Physical State: Dry powder
Available Amount: 784 mg

Lipinsky:
logP: 12.307
Rotatable bonds: 13
H-donors: 0
H-acceptors: 11
PSA: 219
Number of rings: 6

     

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