COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758853
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1[N+](=O)[O-])OC)O)/c1nc2c([nH]1)cccc2

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Molecular Weight: 336.31
Empirical Formula: C17H12N4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.318
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 3

     

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