COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325001
Chemical Name: (4Z)-4-[4-(dimethylamino)benzylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C\c1ccc(cc1)N(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 442.47
Empirical Formula: C25H22N4O4

Physical State: Dry powder
Available Amount: 580 mg

Lipinsky:
logP: 4.532
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 90
Number of rings: 4

     

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