COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169765
Chemical Name: 6-(4-chloro-3-nitrophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 415.86
Empirical Formula: C18H14ClN5O3S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.604
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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