General Information of the Compound
| Compound ID |
CP0427557
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| Compound Name |
N-[3-[(4S)-2-amino-4-cyclopropyl-6-(fluoromethyl)-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C21H17F2N5O2
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| Molecular Weight |
409.396
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| Canonical SMILES |
NC1=N[C@](C=C(CF)O1)(C1CC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C21H17F2N5O2/c22-9-15-8-21(13-2-3-13,28-20(25)30-15)16-7-14(4-5-17(16)23)27-19(29)18-6-1-12(10-24)11-26-18/h1,4-8,11,13H,2-3,9H2,(H2,25,28)(H,27,29)/t21-/m1/s1
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| InChIKey |
VKWQNQRJHNZEHZ-OAQYLSRUSA-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