COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728088
Chemical Name: (2E)-2-(5-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1nc2c([nH]1)ccc(c2)C

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Molecular Weight: 348.32
Empirical Formula: C18H12N4O4

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 4.499
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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