COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL227138
Chemical Name: (2Z)-4-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C\C(=O)N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCO2

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Molecular Weight: 380.36
Empirical Formula: C20H16N2O6

Physical State: Dry powder
Available Amount: 469 mg

Lipinsky:
logP: 1.097
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 108
Number of rings: 4

     

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