COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197626
Chemical Name: (5E)-1-(4-bromophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=S)NC(=O)/C(=C\C2C(=NN(C2=O)c2ccccc2)C)/C1=O

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Saltdata: HCl
Molecular Weight: 483.35
Empirical Formula: C21H15BrN4O3S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 3.028
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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