COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207122
Chemical Name: (4Z)-4-(1-{[2-(1H-imidazol-5-yl)ethyl]amino}ethylidene)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C(\NCCc1cnc[nH]1)/C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 446.47
Empirical Formula: C23H22N6O4

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 1.945
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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