COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833590
Chemical Name: (4E)-4-(3,4-dimethoxybenzylidene)-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1OC)/C=C\1/C(=O)N(N=C1N1CCOCC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 438.44
Empirical Formula: C22H22N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.877
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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