General Information of the Compound
| Compound ID |
CP0345407
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| Compound Name |
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C16H15ClF3N5O2
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| Molecular Weight |
401.776
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| Canonical SMILES |
Cn1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F
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| InChI |
InChI=1S/C16H15ClF3N5O2/c1-15(16(19,20)7-27-14(21)23-15)9-5-8(3-4-11(9)18)22-13(26)12-10(17)6-25(2)24-12/h3-6H,7H2,1-2H3,(H2,21,23)(H,22,26)/t15-/m1/s1
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| InChIKey |
YAOLSFUTRVAXLB-OAHLLOKOSA-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