COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868285
Chemical Name: (4E)-4-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=O)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 428.49
Empirical Formula: C21H28N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.369
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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