COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720265
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)O)/c1nc2c(s1)cccc2

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Molecular Weight: 342.81
Empirical Formula: C17H11ClN2O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.817
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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