COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686111
Chemical Name: (4E)-5-[(2-chloro-5-nitrophenyl)amino]-4-[4-(dimethylamino)benzylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(Cl)c(c(c1)Cl)N1N=C(/C(=C\c2ccc(cc2)N(C)C)/C1=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 565.24
Empirical Formula: C24H17Cl4N5O3

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 8.166
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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