General Information of the Compound
| Compound ID |
CP0579982
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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-fluoroethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H20F5N7O3
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| Molecular Weight |
489.405
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F
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| InChI |
InChI=1S/C19H20F5N7O3/c1-17(8-34-18(2,16(26)31-17)19(22,23)24)13-9(21)3-4-10(28-13)29-15(32)12-14(25)30-11(7-27-12)33-6-5-20/h3-4,7H,5-6,8H2,1-2H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t17-,18+/m0/s1
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| InChIKey |
FLQJNXIYQVZXEY-ZWKOTPCHSA-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