COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004572
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(O)c(c(c1)Br)OC)/c1nc2c(s1)cccc2

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Molecular Weight: 387.26
Empirical Formula: C17H11BrN2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.947
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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