COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381453
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1ccc(cc1)Cl)/c1nc2c(s1)cccc2

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Molecular Weight: 481.8
Empirical Formula: C23H14BrClN2OS

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 8.138
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 74
Number of rings: 4

     

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