General Information of the Compound
| Compound ID |
CP0469601
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| Compound Name |
3-amino-N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H17F3N6O3
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| Molecular Weight |
422.367
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| Canonical SMILES |
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(OCF)nc2N)ccc1F
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| InChI |
InChI=1S/C18H17F3N6O3/c1-18(5-10(6-19)30-17(23)27-18)11-4-9(2-3-12(11)21)25-16(28)14-15(22)26-13(7-24-14)29-8-20/h2-5,7H,6,8H2,1H3,(H2,22,26)(H2,23,27)(H,25,28)/t18-/m0/s1
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| InChIKey |
AZIJTOLXZWPJMO-SFHVURJKSA-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