COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326325
Chemical Name: 1-[3-(methylsulfanyl)-6-[4-(prop-2-en-1-yloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Smiles: CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)OCC=C

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Molecular Weight: 448.55
Empirical Formula: C24H24N4O3S

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 5.341
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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