COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK332541
Chemical Name: N-[(4Z)-4-(3,4-dimethoxybenzylidene)-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-nitrobenzamide
Smiles: COc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 575.79
Empirical Formula: C25H17Cl3N4O6

Physical State: Dry powder
Available Amount: 358 mg

Lipinsky:
logP: 6.063
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 4

     

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