COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL493559
Chemical Name: 4,4'-(1,3-benzodioxol-5-ylmethanediyl)bis(5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Smiles: Cc1[nH]n(c(=O)c1C(c1c(C)[nH]n(c1=O)c1ccccc1)c1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 480.52
Empirical Formula: C28H24N4O4

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 5.475
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 83
Number of rings: 6

     

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