COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL508399
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/c1nc2c(s1)cccc2

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Molecular Weight: 452.29
Empirical Formula: C20H10BrN3O3S

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 6.189
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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