General Information of the Compound
| Compound ID |
CP0575199
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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-(2-methoxyethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H23F4N7O4
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| Molecular Weight |
501.441
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| Canonical SMILES |
COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1
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| InChI |
InChI=1S/C20H23F4N7O4/c1-18(9-35-19(2,17(26)31-18)20(22,23)24)14-10(21)4-5-11(28-14)29-16(32)13-15(25)30-12(8-27-13)34-7-6-33-3/h4-5,8H,6-7,9H2,1-3H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t18-,19+/m0/s1
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| InChIKey |
JCRFLTOHIUBPBI-RBUKOAKNSA-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