COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387350
Chemical Name: (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-chloro-2,4-dimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(cc1OC)OC)/Sc1nc2c(s1)cccc2

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Molecular Weight: 388.9
Empirical Formula: C18H13ClN2O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.299
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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