COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094996
Chemical Name: tetramethyl6'-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-5',5',8',9'-tetramethyl-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)CSc1nc3c(o1)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 768.91
Empirical Formula: C35H32N2O10S4

Physical State: Dry powder
Available Amount: 455 mg

Lipinsky:
logP: 13.202
Rotatable bonds: 11
H-donors: 0
H-acceptors: 10
PSA: 252
Number of rings: 6

     

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