COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206842
Chemical Name: (4Z)-2-(4-nitrophenyl)-5-propyl-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C\c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.44
Empirical Formula: C22H23N3O6

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 3.695
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 106
Number of rings: 3

     

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