COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL386511
Chemical Name: (2E)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(2-hydroxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=C/C(=O)c1ccccc1O

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Molecular Weight: 407.43
Empirical Formula: C22H21N3O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.699
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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