COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522865
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{3-[(4-chlorobenzyl)oxy]-4-methoxyphenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OCc1ccc(cc1)Cl)OC)/c1nc2c(s1)cccc2

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Molecular Weight: 432.93
Empirical Formula: C24H17ClN2O2S

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 6.867
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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