General Information of the Compound
| Compound ID |
CP0192544
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| Compound Name |
2-[(1-ethyl-7-nitro-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
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| Structure |
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| Formula |
C25H24F3N3O6
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| Molecular Weight |
519.476
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| Canonical SMILES |
CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccc(cc12)[N+]([O-])=O
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| InChI |
InChI=1S/C25H24F3N3O6/c1-3-23(10-4-5-15-6-8-17(31(35)36)12-20(15)23)13-24(34,25(26,27)28)22(33)29-16-7-9-18-19(11-16)14(2)30-37-21(18)32/h6-9,11-12,34H,3-5,10,13H2,1-2H3,(H,29,33)
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| InChIKey |
OWAUSXIFTVKJHO-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