COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287211
Chemical Name: (2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/c1[nH]c2c(n1)cc(c(c2)C)C

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Molecular Weight: 362.34
Empirical Formula: C19H14N4O4

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.959
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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