COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK014672
Chemical Name: (4Z)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/NCCCn1cncc1

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Molecular Weight: 368.4
Empirical Formula: C18H20N6O3

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 1.248
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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