COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028208
Chemical Name: (2E)-3-(5-bromo-2-methoxyphenyl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)ccc1OC)/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 436.65
Empirical Formula: C17H11BrClN3O4

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 5.434
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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