COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381595
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{2-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1OCc1ccc(cc1Cl)Cl)OC)/c1nc2c(s1)cccc2

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Molecular Weight: 467.37
Empirical Formula: C24H16Cl2N2O2S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 7.535
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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