General Information of the Compound
| Compound ID |
CP0546091
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| Compound Name |
4-N-(3,4,5-trifluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1,4-benzoxazine-4,8-dicarboxamide
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| Structure |
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| Formula |
C19H15F6N3O3
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| Molecular Weight |
447.335
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| Canonical SMILES |
C[C@@H](NC(=O)c1cccc2N(CCOc12)C(=O)Nc1cc(F)c(F)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C19H15F6N3O3/c1-9(19(23,24)25)26-17(29)11-3-2-4-14-16(11)31-6-5-28(14)18(30)27-10-7-12(20)15(22)13(21)8-10/h2-4,7-9H,5-6H2,1H3,(H,26,29)(H,27,30)/t9-/m1/s1
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| InChIKey |
CJSLTTQBWPVTGQ-SECBINFHSA-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