COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052286
Chemical Name: tetraethyl5',5',8'-trimethyl-6'-(trifluoroacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2ccc(cc2N(C1(C)C)C(=O)C(F)(F)F)C)C(=O)OCC)C(=O)OCC)C(=O)OCC

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Molecular Weight: 715.79
Empirical Formula: C31H32F3NO9S3

Physical State: Dry powder
Available Amount: 595 mg

Lipinsky:
logP: 13.655
Rotatable bonds: 12
H-donors: 0
H-acceptors: 9
PSA: 201
Number of rings: 4

     

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