COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440076
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)prop-2-enamide
Smiles: O=C(Nc1nc2c(s1)cc(cc2)Br)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 403.26
Empirical Formula: C17H11BrN2O3S

Physical State: Dry powder
Available Amount: 904 mg

Lipinsky:
logP: 5.468
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 4

     

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