General Information of the Compound
| Compound ID |
CP0563239
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| Compound Name |
N-[3-[5-amino-3-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C17H14ClF3N4O2
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| Molecular Weight |
398.772
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| Canonical SMILES |
NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H14ClF3N4O2/c18-11-4-5-13(23-7-11)15(26)24-12-3-1-2-10(6-12)16(17(19,20)21)9-27-8-14(22)25-16/h1-7H,8-9H2,(H2,22,25)(H,24,26)
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| InChIKey |
KBYCQYPXPIXAHW-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