COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113730
Chemical Name: 2-chlorobenzyl4-{5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dien-1-yl]furan-2-yl}benzoate
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)OCc1ccccc1Cl)/C(=C(C#N)C#N)N

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Molecular Weight: 454.87
Empirical Formula: C25H15ClN4O3

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 5.108
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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