COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372472
Chemical Name: 3-methyl-5-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N/Nc1nnc(n1N)C

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Saltdata: HCl
Molecular Weight: 305.25
Empirical Formula: C11H11N7O4

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 0.959
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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