COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134061
Chemical Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 306.32
Empirical Formula: C18H14N2O3

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 3.435
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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