COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431841
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1c(Br)cc(cc1Br)[N+](=O)[O-])/c1nc2c([nH]1)cccc2

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Molecular Weight: 514.13
Empirical Formula: C20H10Br2N4O3

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 5.684
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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