COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980167
Chemical Name: 2-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenylbutanoate
Smiles: CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Cl)cc(c1OC(=O)CCC)OC

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Molecular Weight: 543.04
Empirical Formula: C26H27ClN4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.531
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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