COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025253
Chemical Name: (4E)-4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1OC)CC(=O)N1CCN(CC1)CCN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 536.59
Empirical Formula: C27H32N6O6

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 1.755
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 4

     

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