COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086619
Chemical Name: (5E)-8-bromo-6-(2-chlorophenyl)-3-oxo-1,2,3,4-tetrahydro-1,5-benzodiazocin-4-ylbeta-alaninate
Smiles: NCCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Br)ccc2NCC1=O

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Saltdata: HBr
Molecular Weight: 450.72
Empirical Formula: C19H17BrClN3O3

Available Amount: 0 mg

Lipinsky:
logP: 2.699
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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