COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130031
Chemical Name: tetramethyl8'-methoxy-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: COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(cc1)OC)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 739.85
Empirical Formula: C35H33NO11S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 11.322
Rotatable bonds: 10
H-donors: 0
H-acceptors: 11
PSA: 219
Number of rings: 5

     

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