General Information of the Compound
| Compound ID |
CP0302685
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| Compound Name |
2-fluoro-4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazole-3-yl)-4,5-dihydroisoxazole-3-yl)phenol
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| Structure |
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| Formula |
C12H7F4N3O3
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| Molecular Weight |
317.198
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| Canonical SMILES |
Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C12H7F4N3O3/c13-6-3-5(1-2-8(6)20)7-4-9(21-18-7)10-17-11(22-19-10)12(14,15)16/h1-3,9,20H,4H2
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| InChIKey |
VUBBLNMHPOQZNG-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