COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK661870
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])OC)/c1nc2c(s1)cccc2

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Molecular Weight: 337.36
Empirical Formula: C17H11N3O3S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.502
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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