General Information of the Compound
| Compound ID |
CP0254279
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| Compound Name |
2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C19H15FN2O4
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| Molecular Weight |
354.337
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| Canonical SMILES |
Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1
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| InChI |
InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2
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| InChIKey |
KGEKKGLPXDUQNQ-UHFFFAOYSA-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