COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692646
Chemical Name: dimethyl2-[1-chloro-2-(phenylsulfanyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C(/C(=S)Sc2ccccc2)\Cl)/S1)C(=O)OC

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Molecular Weight: 418.97
Empirical Formula: C15H11ClO4S4

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.196
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 160
Number of rings: 2

     

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