COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099762
Chemical Name: tetramethyl9'-ethoxy-6'-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-5',5'-dimethyl-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)/C=C/c2ccc(cc2)OC)(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: 753.87
Empirical Formula: C36H35NO11S3

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 11.884
Rotatable bonds: 11
H-donors: 0
H-acceptors: 11
PSA: 219
Number of rings: 5

     

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