General Information of the Compound
| Compound ID |
CP0546848
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| Compound Name |
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H17F7N6O2
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| Molecular Weight |
494.371
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C19H17F7N6O2/c1-16(7-34-17(2,15(28)32-16)19(24,25)26)13-9(20)3-4-11(30-13)31-14(33)12-10(27)5-8(6-29-12)18(21,22)23/h3-6H,7,27H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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| InChIKey |
RNLNFTQJIYFRSH-DLBZAZTESA-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