General Information of the Compound
| Compound ID |
CP0086391
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| Compound Name |
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4,5-difluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C19H15F4N5O2
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| Molecular Weight |
421.354
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C19H15F4N5O2/c1-9-2-10(5-24)6-26-16(9)17(29)27-11-3-12(15(21)13(20)4-11)19(18(22)23)8-30-7-14(25)28-19/h2-4,6,18H,7-8H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1
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| InChIKey |
AGYZHWLVQUIXGN-IBGZPJMESA-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