COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169830
Chemical Name: 4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dipropylaniline
Smiles: CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)N(CCC)CCC

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Molecular Weight: 477.67
Empirical Formula: C27H35N5OS

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 7.315
Rotatable bonds: 9
H-donors: 1
H-acceptors: 1
PSA: 88
Number of rings: 4

     

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