COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053892
Chemical Name: (4E)-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/NCCCn1cncc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 382.42
Empirical Formula: C19H22N6O3

Physical State: Dry powder
Available Amount: 739 mg

Lipinsky:
logP: 1.759
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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