COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980110
Chemical Name: 1-[6-(2-butoxynaphthalen-1-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCOc1ccc2c(c1C1Oc3nc(SCCCC)nnc3c3c(N1C(=O)C)cccc3)cccc2

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Molecular Weight: 528.68
Empirical Formula: C30H32N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.892
Rotatable bonds: 9
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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