COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692644
Chemical Name: dimethyl2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C(\C(=S)Nc2ccccc2O)/Cl)/S1)C(=O)OC

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Molecular Weight: 417.91
Empirical Formula: C15H12ClNO5S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.623
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 167
Number of rings: 2

     

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