COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387348
Chemical Name: (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/Sc1nc2c(s1)cccc2

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Molecular Weight: 419.32
Empirical Formula: C17H11BrN2O2S2

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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