COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382709
Chemical Name: (2E)-3-[2-(benzyloxy)-5-bromophenyl]-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)/C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 512.75
Empirical Formula: C23H15BrClN3O4

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 7.198
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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