COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197489
Chemical Name: N-{(E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine
Smiles: [O-][N+](=O)c1cccc(c1)n1c(C)cc(c1C)/C=N/n1cnnc1

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Saltdata: HCl
Molecular Weight: 310.32
Empirical Formula: C15H14N6O2

Physical State: Dry powder
Available Amount: 14 mg

Lipinsky:
logP: 2.739
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 3

     

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