COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482245
Chemical Name: (4E)-4-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)CC(=O)N1CCN(CC1)CCN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 510.98
Empirical Formula: C25H27ClN6O4

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 2.613
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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