COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521041
Chemical Name: 1-[6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 457.9
Empirical Formula: C20H16ClN5O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.206
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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