COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK949970
Chemical Name: pentyl4-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate
Smiles: CCCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C#N

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Molecular Weight: 473.49
Empirical Formula: C26H23N3O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.86
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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