COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957158
Chemical Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1cccc(c1)N1N=C(/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O)C

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Molecular Weight: 430.21
Empirical Formula: C18H12BrN3O5

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 4.165
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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