COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171803
Chemical Name: 3-{(4Z)-4-[3-bromo-5-ethoxy-4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C

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Molecular Weight: 650.48
Empirical Formula: C31H28BrN3O8

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.935
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 143
Number of rings: 4

     

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