COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262121
Chemical Name: 4-[(E)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1OC)CC/N=C/c1c(C)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 410.43
Empirical Formula: C21H22N4O5

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.647
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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