COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521005
Chemical Name: 1-{6-[5-(3-bromophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)c1cccc(c1)Br

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Molecular Weight: 523.41
Empirical Formula: C24H19BrN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.717
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 5

     

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