COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017166
Chemical Name: tetraethyl5',5',8'-trimethyl-6'-[(2E)-3-phenylprop-2-enoyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)/C=C/c1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC

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Molecular Weight: 749.93
Empirical Formula: C38H39NO9S3

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 14.017
Rotatable bonds: 13
H-donors: 0
H-acceptors: 9
PSA: 201
Number of rings: 5

     

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