COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367912
Chemical Name: (2E,3E)-2-(4-bromobenzylidene)-3-(4H-1,2,4-triazol-3-ylimino)-2,3-dihydro-1H-inden-1-one
Smiles: Brc1ccc(cc1)/C=C\1/C(=O)c2c(/C1=N\c1[nH]cnn1)cccc2

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Molecular Weight: 379.22
Empirical Formula: C18H11BrN4O

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 4.25
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 71
Number of rings: 4

     

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