General Information of the Compound
| Compound ID |
CP0283198
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| Compound Name |
2-[(1-cyclobutyl-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 |
C27H27F3N2O4
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| Molecular Weight |
500.517
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| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C3CCC3)C(F)(F)F)cc12
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| InChI |
InChI=1S/C27H27F3N2O4/c1-16-21-14-19(11-12-20(21)23(33)36-32-16)31-24(34)26(35,27(28,29)30)15-25(18-8-4-9-18)13-5-7-17-6-2-3-10-22(17)25/h2-3,6,10-12,14,18,35H,4-5,7-9,13,15H2,1H3,(H,31,34)
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| InChIKey |
WJXSYOTZHCLCSU-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