General Information of the Compound
| Compound ID |
CP0365699
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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-(cyclopropylamino)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H20F4N6O2
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| Molecular Weight |
452.412
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| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NC3CC3)cn2)ccc1F
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| InChI |
InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-9-15(25)30-19)12-6-11(4-5-13(12)21)29-17(31)14-7-27-16(8-26-14)28-10-2-3-10/h4-8,10,18H,2-3,9H2,1H3,(H2,25,30)(H,27,28)(H,29,31)/t18-,19-/m1/s1
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| InChIKey |
PGWONOYPSIDCQI-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