General Information of the Compound
| Compound ID |
CP0283289
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| Compound Name |
2-[(1-ethyl-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 |
C25H25F3N2O4
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| Molecular Weight |
474.479
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| Canonical SMILES |
CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C25H25F3N2O4/c1-3-23(12-6-8-16-7-4-5-9-20(16)23)14-24(33,25(26,27)28)22(32)29-17-10-11-18-19(13-17)15(2)30-34-21(18)31/h4-5,7,9-11,13,33H,3,6,8,12,14H2,1-2H3,(H,29,32)
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| InChIKey |
QNVMARIKSCEIAR-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