COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070673
Chemical Name: (4Z)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)CCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C

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Molecular Weight: 394.43
Empirical Formula: C21H22N4O4

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 3.257
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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