COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680422
Chemical Name: (2E)-4-(4-bromophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobut-2-enoicacid
Smiles: Brc1ccc(cc1)C(=O)/C=C(\C(=O)O)/Nc1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 456.3
Empirical Formula: C21H18BrN3O4

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 1.112
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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