COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131888
Chemical Name: tetramethyl6'-[(4-chloro-3-nitrophenyl)carbonyl]-5',5',9'-trimethyl-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)cc1)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 747.22
Empirical Formula: C32H27ClN2O11S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 11.236
Rotatable bonds: 9
H-donors: 0
H-acceptors: 11
PSA: 247
Number of rings: 5

     

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