COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380679
Chemical Name: (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 399.41
Empirical Formula: C23H17N3O4

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 4.27
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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