COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383274
Chemical Name: (4Z)-2-(4-ethylphenyl)-5-hydroxy-4-({5-[3-nitro-4-(piperidin-1-yl)phenyl]furan-2-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/C1=O)O

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Molecular Weight: 486.53
Empirical Formula: C27H26N4O5

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 7.077
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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