COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035932
Chemical Name: (4Z)-4-(5-bromo-2,4-dimethoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(OC)c(cc1/C=C\1/C(=NN(C1=O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-])Br

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Molecular Weight: 605.47
Empirical Formula: C28H21BrN4O5S

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 6.905
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 138
Number of rings: 5

     

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