COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368014
Chemical Name: 5-{(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1cc2OCOc2cc1Br)c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 463.67
Empirical Formula: C19H12BrClN2O5

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 4.16
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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