COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980050
Chemical Name: 1-[3-(butylsulfanyl)-6-(2-propoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(OCCC)ccc2c1cccc2

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Molecular Weight: 514.65
Empirical Formula: C29H30N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.361
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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