COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003252
Chemical Name: tetramethyl6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-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)C(N1C(=O)c3c(C1=O)cccc3)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 826.93
Empirical Formula: C41H34N2O11S3

Physical State: Dry powder
Available Amount: 466 mg

Lipinsky:
logP: 13.262
Rotatable bonds: 10
H-donors: 0
H-acceptors: 11
PSA: 238
Number of rings: 7

     

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