General Information of the Compound
| Compound ID |
CP0396647
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| Compound Name |
N-[3-[(3R,6R)-5-amino-6-methoxy-3,6-dimethyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H22FN5O3
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| Molecular Weight |
411.437
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| Canonical SMILES |
CO[C@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
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| InChI |
InChI=1S/C21H22FN5O3/c1-12-7-13(9-23)10-25-17(12)18(28)26-14-5-6-16(22)15(8-14)20(2)11-30-21(3,29-4)19(24)27-20/h5-8,10H,11H2,1-4H3,(H2,24,27)(H,26,28)/t20-,21+/m0/s1
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| InChIKey |
XOJIRBMLPVXBQH-LEWJYISDSA-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