General Information of the Compound
| Compound ID |
CP0367888
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| Compound Name |
2-[(1-tert-butyl-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 |
C27H29F3N2O4
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| Molecular Weight |
502.533
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| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)C(C)(C)C)C(F)(F)F)cc12
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| InChI |
InChI=1S/C27H29F3N2O4/c1-16-20-14-18(11-12-19(20)22(33)36-32-16)31-23(34)26(35,27(28,29)30)15-25(24(2,3)4)13-7-9-17-8-5-6-10-21(17)25/h5-6,8,10-12,14,35H,7,9,13,15H2,1-4H3,(H,31,34)
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| InChIKey |
IRSUPDYKRXRIPH-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