COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053252
Chemical Name: tetramethyl6'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-5',5'-dimethyl-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(c1c3cccc1)C(=O)c1sc3c(c1Cl)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 744.29
Empirical Formula: C33H26ClNO9S4

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 12.569
Rotatable bonds: 9
H-donors: 0
H-acceptors: 9
PSA: 229
Number of rings: 6

     

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