General Information of the Compound
| Compound ID |
CP0576512
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| Compound Name |
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxy-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H22F4N4O3
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| Molecular Weight |
454.424
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| Canonical SMILES |
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C21H22F4N4O3/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)19(2)10-32-20(3,18(26)29-19)21(23,24)25/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1
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| InChIKey |
DGKJKZFNUCFCQA-VQTJNVASSA-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