COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK121986
Chemical Name: 2-{5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dien-1-yl]furan-2-yl}-5-bromobenzoicacid
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1C(=O)O)Br)/C(=C(C#N)C#N)N

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Molecular Weight: 409.2
Empirical Formula: C18H9BrN4O3

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 2.842
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 147
Number of rings: 2

     

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