General Information of the Compound
| Compound ID |
CP0228246
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| Compound Name |
N-[3-[(4R,5R,6S)-2-amino-5-fluoro-6-(1-fluorocyclopropyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H19F4N5O3
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| Molecular Weight |
453.396
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| Canonical SMILES |
C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C1(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C20H19F4N5O3/c1-19(15(23)16(20(24)4-5-20)32-18(25)29-19)11-6-10(2-3-12(11)22)28-17(30)13-7-27-14(8-26-13)31-9-21/h2-3,6-8,15-16H,4-5,9H2,1H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1
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| InChIKey |
IGZKUFGUJFXVMF-TXPKVOOTSA-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