COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287213
Chemical Name: (2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc2n(C)c(=O)n(c2cc1[N+](=O)[O-])C)/c1[nH]c2c(n1)cc(c(c2)C)C

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Molecular Weight: 402.41
Empirical Formula: C21H18N6O3

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 3.67
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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