COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803792
Chemical Name: (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 458.29
Empirical Formula: C19H12BrN3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.466
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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