COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065038
Chemical Name: tetramethyl6'-(1,3-benzodioxol-5-ylcarbonyl)-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2N(C1(C)C)C(=O)c1ccc2c(c1)OCO2)C)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 725.82
Empirical Formula: C34H31NO11S3

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 10.641
Rotatable bonds: 9
H-donors: 0
H-acceptors: 11
PSA: 219
Number of rings: 6

     

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