COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991748
Chemical Name: methyl4-chloro-2-({(Z)-[5-cyano-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1N/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)Cl

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Molecular Weight: 463.9
Empirical Formula: C20H18ClN3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.966
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 3

     

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