General Information of the Compound
| Compound ID |
CP0276474
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| Compound Name |
3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(6-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
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| Structure |
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| Formula |
C23H20F3N3O6
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| Molecular Weight |
491.422
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| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4cc(ccc34)[N+]([O-])=O)C(F)(F)F)cc12
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| InChI |
InChI=1S/C23H20F3N3O6/c1-12-19-10-15(5-7-18(19)20(30)35-28-12)27-21(31)22(32,23(24,25)26)11-14-4-2-3-13-9-16(29(33)34)6-8-17(13)14/h5-10,14,32H,2-4,11H2,1H3,(H,27,31)
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| InChIKey |
VUBJMTZAKOQLNY-UHFFFAOYSA-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