General Information of the Compound
| Compound ID |
CP0427558
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| Compound Name |
N-[3-[(4S)-2-amino-6-(difluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C20H16F3N5O2
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| Molecular Weight |
415.375
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C20H16F3N5O2/c1-10-5-11(8-24)9-26-16(10)18(29)27-12-3-4-14(21)13(6-12)20(2)7-15(17(22)23)30-19(25)28-20/h3-7,9,17H,1-2H3,(H2,25,28)(H,27,29)/t20-/m0/s1
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| InChIKey |
DSZGYBZHOVZDKX-FQEVSTJZSA-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