COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580862
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]prop-2-enamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 369.36
Empirical Formula: C17H11N3O5S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.563
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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