COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680217
Chemical Name: 4-({(3Z)-5-(4-bromophenyl)-1-[(2,4-dinitrophenyl)amino]-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)C1=C/C(=N/c2c(C)n(n(c2=O)c2ccccc2)C)/C(=O)N1Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 618.4
Empirical Formula: C27H20BrN7O6

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 5.336
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 159
Number of rings: 5

     

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