COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK142983
Chemical Name: 5-methyl-2-(4-nitrophenyl)-4-[(E)-({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}imino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=C(c1ccccc1)N1CCN(CC1)CC/N=C/c1c(C)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 462.51
Empirical Formula: C24H26N6O4

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 2.159
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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