COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991757
Chemical Name: dimethyl2-({(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)C(=O)OC

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Molecular Weight: 487.49
Empirical Formula: C22H21N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.594
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 168
Number of rings: 3

     

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