COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020819
Chemical Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-{[(2-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}ethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)CCN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 552.59
Empirical Formula: C27H32N6O7

Physical State: Dry powder
Available Amount: 495 mg

Lipinsky:
logP: 2.387
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 141
Number of rings: 4

     

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