COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK732203
Chemical Name: (4E)-4-(3,4-dimethoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1OC)/C=C\1/C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 429.43
Empirical Formula: C24H19N3O5

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 3.937
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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