COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL487060
Chemical Name: (1E,3E)-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-(3-nitrophenyl)but-3-en-2-one
Smiles: CCn1/c(=C\C(=O)/C=C/c2cccc(c2)[N+](=O)[O-])/sc2c1cccc2

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Molecular Weight: 352.41
Empirical Formula: C19H16N2O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.036
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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