General Information of the Compound
| Compound ID |
CP0853244
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| Compound Name |
N-(2-(2-Methyl-5-(3-(trifluoromethyl)benzamido)phenoxy)ethyl)-isoxazole-5-carboxamide
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| Structure |
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| Formula |
C21H18F3N3O4
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| Molecular Weight |
433.386
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCCNC(=O)c1ccno1
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| InChI |
InChI=1S/C21H18F3N3O4/c1-13-5-6-16(27-19(28)14-3-2-4-15(11-14)21(22,23)24)12-18(13)30-10-9-25-20(29)17-7-8-26-31-17/h2-8,11-12H,9-10H2,1H3,(H,25,29)(H,27,28)
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| InChIKey |
AZDOANPZBGQTAC-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