COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262130
Chemical Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/NCCN1CCNCC1

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Molecular Weight: 372.43
Empirical Formula: C18H24N6O3

Physical State: Dry powder
Available Amount: 441 mg

Lipinsky:
logP: 1.06
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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