COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507647
Chemical Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(3-chlorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cccc(c1)N1N=C(/C(=C/c2cc3OCOc3cc2Br)/C1=O)O

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Molecular Weight: 421.63
Empirical Formula: C17H10BrClN2O4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.805
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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