General Information of the Compound
| Compound ID |
CP0241297
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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-(1,1,2,2,2-pentafluoroethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H14F9N5O3
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| Molecular Weight |
531.335
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| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OC(F)(F)C(F)(F)F)cn2)ccc1F
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| InChI |
InChI=1S/C19H14F9N5O3/c1-16(15(17(21,22)23)35-7-12(29)33-16)9-4-8(2-3-10(9)20)32-14(34)11-5-31-13(6-30-11)36-19(27,28)18(24,25)26/h2-6,15H,7H2,1H3,(H2,29,33)(H,32,34)/t15-,16-/m1/s1
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| InChIKey |
NUPDMUKKVYYVHE-HZPDHXFCSA-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