COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012703
Chemical Name: (4E)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(c(c1)C)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 434.48
Empirical Formula: C21H18N6O3S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 3.206
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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