COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK977132
Chemical Name: (4E)-4-[({2-[4-(cyclopentylacetyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C(N1CCN(CC1)CCN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)CC1CCCC1

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Molecular Weight: 468.56
Empirical Formula: C24H32N6O4

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 2.333
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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