COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024561
Chemical Name: tetramethyl2,2'-[(phenylmethanediyl)bis(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-6-yl-4-ylidene)]bis(1,3-dithiole-4,5-dicarboxylate)
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(ccc3N(C(C2=S)(C)C)C)C(c2ccc3c(c2)/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C(N3C)(C)C)c2ccccc2)/S1)C(=O)OC

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Molecular Weight: 931.23
Empirical Formula: C45H42N2O8S6

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 9.634
Rotatable bonds: 10
H-donors: 0
H-acceptors: 8
PSA: 277
Number of rings: 7

     

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