COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521995
Chemical Name: 1-[3-(butylsulfanyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCCCSc1nnc2c(n1)OC(c1cc(OC)c3c(c1)OCO3)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 494.57
Empirical Formula: C25H26N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.711
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 5

     

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