General Information of the Compound
| Compound ID |
CP0478213
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| Compound Name |
N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H21F4N5O4
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| Molecular Weight |
471.411
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| Canonical SMILES |
COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F
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| InChI |
InChI=1S/C20H21F4N5O4/c1-19(18(20(22,23)24)33-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(30)14-8-27-16(9-26-14)32-6-5-31-2/h3-4,7-9,18H,5-6,10H2,1-2H3,(H2,25,29)(H,28,30)/t18-,19-/m1/s1
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| InChIKey |
AANLQBIDWIHDGD-RTBURBONSA-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