COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL200289
Chemical Name: (2E)-4-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoicacid
Smiles: COc1cccc(c1O)C1CC(=NN1C(=O)/C=C/C(=O)O)c1ccc2c(c1)OCO2

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Molecular Weight: 410.38
Empirical Formula: C21H18N2O7

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 0.802
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 117
Number of rings: 4

     

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