COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK255842
Chemical Name: 1-[4-(4-{[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}phenyl)piperazin-1-yl]butan-1-one
Smiles: CCCC(=O)N1CCN(CC1)c1ccc(cc1)/N=C/c1cc(cc(c1O)OC)[N+](=O)[O-]

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Molecular Weight: 426.47
Empirical Formula: C22H26N4O5

Physical State: Dry powder
Available Amount: 455 mg

Lipinsky:
logP: 3.313
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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