General Information of the Compound
| Compound ID |
CP0074397
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| Compound Name |
N-[3-[(5R,6S)-3-amino-6-fluoro-5-methyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
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| Structure |
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| Formula |
C17H13ClF5N5O2
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| Molecular Weight |
449.767
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| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F
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| InChI |
InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16-/m1/s1
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| InChIKey |
GIPPQVKFNKABNR-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