COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672098
Chemical Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(4-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)-1H-benzimidazol-6-amine
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N/c1ccc(cc1)c1[nH]c2c(n1)ccc(c2)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 578.5
Empirical Formula: C29H18N6O8

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 4.816
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 181
Number of rings: 7

     

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