COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169821
Chemical Name: 6-(4,5-dibromofuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1oc(c(c1)Br)Br

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Molecular Weight: 526.25
Empirical Formula: C19H18Br2N4O2S

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 5.852
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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