COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135162
Chemical Name: tetraethyl9'-methoxy-6'-[(3-methoxyphenyl)carbonyl]-5',5'-dimethyl-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(c1c3cc(OC)cc1)C(=O)c1cccc(c1)OC)SC(=C(S2)C(=O)OCC)C(=O)OCC

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Molecular Weight: 769.91
Empirical Formula: C37H39NO11S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 12.475
Rotatable bonds: 15
H-donors: 0
H-acceptors: 11
PSA: 219
Number of rings: 5

     

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