COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815519
Chemical Name: (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 415.26
Empirical Formula: C15H15BrN2O5S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 0.386
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 124
Number of rings: 2

     

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