General Information of the Compound
| Compound ID |
CP0184806
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| Compound Name |
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethynylpyridine-2-carboxamide
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| Structure |
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| Formula |
C19H15F3N4O2
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| Molecular Weight |
388.349
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F
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| InChI |
InChI=1S/C19H15F3N4O2/c1-3-11-4-7-15(24-9-11)16(27)25-12-5-6-14(20)13(8-12)18(2)19(21,22)10-28-17(23)26-18/h1,4-9H,10H2,2H3,(H2,23,26)(H,25,27)/t18-/m1/s1
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| InChIKey |
CQEOGCIXQLQZTF-GOSISDBHSA-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