COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521163
Chemical Name: 1-{6-[5-(2-methyl-4-nitrophenyl)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)c1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 503.54
Empirical Formula: C25H21N5O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.115
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 152
Number of rings: 5

     

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