General Information of the Compound
| Compound ID |
CP0136396
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| Compound Name |
2-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)propyl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C20H17FN2O4
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| Molecular Weight |
368.364
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| Canonical SMILES |
Oc1ccc(cc1F)C1=NOC(CCCN2C(=O)c3ccccc3C2=O)C1
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| InChI |
InChI=1S/C20H17FN2O4/c21-16-10-12(7-8-18(16)24)17-11-13(27-22-17)4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,10,13,24H,3-4,9,11H2
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| InChIKey |
UBSHAIHAGGXDAC-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