COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671274
Chemical Name: N-{(E)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4H-1,2,4-triazol-4-amine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)Cc1ccccc1)/C=N/n1cnnc1

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Molecular Weight: 391.43
Empirical Formula: C20H21N7O2

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 3.419
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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