COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692650
Chemical Name: dimethyl2-[1-chloro-2-(phenylamino)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C(/C(=S)Nc2ccccc2)\Cl)/S1)C(=O)OC

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Molecular Weight: 401.92
Empirical Formula: C15H12ClNO4S3

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.985
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 2

     

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