COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980125
Chemical Name: ethyl4-{5-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
Smiles: CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)c1ccc(cc1)C(=O)OCC

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Molecular Weight: 530.6
Empirical Formula: C28H26N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.969
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 132
Number of rings: 5

     

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