COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412525
Chemical Name: (1E,4E)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one
Smiles: Cn1ncc(c1)/C=C/C(=O)/C(=C\c1cnn(c1)C)/n1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 381.39
Empirical Formula: C18H19N7O3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.022
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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