COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002334
Chemical Name: (4E)-4-[2-(2,3-dimethylphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=N/Nc1cccc(c1C)C)c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 434.48
Empirical Formula: C21H18N6O3S

Physical State: Dry powder
Available Amount: 49 mg

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

     

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