COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443407
Chemical Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-hydroxy-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N1N=C(/C(=C/c2ccc3c(c2)OCO3)/C1=O)O

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Molecular Weight: 322.32
Empirical Formula: C18H14N2O4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.765
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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