General Information of the Compound
| Compound ID |
CP0275867
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| Compound Name |
3-(2-Fluoro-phenyl)-4-[1-(4-pyrrolidin-1-yl-phenyl)-meth-(Z)-ylidene]-4H-isoxazol-5-one
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| Structure |
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| Formula |
C20H17FN2O2
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| Molecular Weight |
336.366
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| Canonical SMILES |
Fc1ccccc1C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1
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| InChI |
InChI=1S/C20H17FN2O2/c21-18-6-2-1-5-16(18)19-17(20(24)25-22-19)13-14-7-9-15(10-8-14)23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12H2/b17-13-
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| InChIKey |
GMOZLLMXTMENGY-LGMDPLHJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound