COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681674
Chemical Name: (2E)-N-(3-bromo-4-propoxyphenyl)-3-[2-(3,4-diethoxyphenyl)ethyl]-2-{[2-(3,4-diethoxyphenyl)ethyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: CCCOc1ccc(cc1Br)NC(=O)c1cc(=O)n(/c(=N\CCc2ccc(c(c2)OCC)OCC)/s1)CCc1ccc(c(c1)OCC)OCC

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Saltdata: HBr
Molecular Weight: 768.77
Empirical Formula: C38H46BrN3O7S

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 9.226
Rotatable bonds: 18
H-donors: 1
H-acceptors: 7
PSA: 133
Number of rings: 4

     

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