COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380680
Chemical Name: (2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 433.85
Empirical Formula: C23H16ClN3O4

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 4.632
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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