COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057626
Chemical Name: tetramethyl5',5',8',9'-tetramethyl-6'-(thiophen-2-ylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)Cc1cccs1)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 701.86
Empirical Formula: C32H31NO9S4

Physical State: Dry powder
Available Amount: 544 mg

Lipinsky:
logP: 11.853
Rotatable bonds: 10
H-donors: 0
H-acceptors: 9
PSA: 229
Number of rings: 5

     

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