COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK144103
Chemical Name: (4Z)-4-[4-(dimethylamino)benzylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C\c1ccc(cc1)N(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 378.43
Empirical Formula: C21H22N4O3

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 4.612
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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