COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331700
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)Br)O)/c1nc2c(s1)cccc2

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Molecular Weight: 436.13
Empirical Formula: C16H8Br2N2OS

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 6.306
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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