General Information of the Compound
| Compound ID |
CP0415766
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| Compound Name |
N-[3-[(4S)-2-amino-6-(methoxymethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C20H18FN5O3
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| Molecular Weight |
395.394
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| Canonical SMILES |
COCC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C20H18FN5O3/c1-20(8-14(11-28-2)29-19(23)26-20)15-7-13(4-5-16(15)21)25-18(27)17-6-3-12(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,26)(H,25,27)/t20-/m0/s1
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| InChIKey |
PBAGMXJDUUVRJA-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