COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692647
Chemical Name: dimethyl2-{1-chloro-2-[(3-methylphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C(\C(=S)Nc2cccc(c2)C)/Cl)/S1)C(=O)OC

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Molecular Weight: 415.94
Empirical Formula: C16H14ClNO4S3

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 2

     

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