COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757267
Chemical Name: 3-{(2E)-2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrobenzylidene]hydrazinyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1/C=N/Nc1nnc(n1N)C)[N+](=O)[O-]

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Saltdata: 2 HCl
Molecular Weight: 455.56
Empirical Formula: C22H33N9O2

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 5.478
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 133
Number of rings: 4

     

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