General Information of the Compound
| Compound ID |
CP0276477
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| Compound Name |
3,3,3-trifluoro-2-hydroxy-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
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| Structure |
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| Formula |
C24H23F3N2O5
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| Molecular Weight |
476.451
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| Canonical SMILES |
COc1cccc2C(CC(O)(C(=O)Nc3ccc4c(c3)c(C)noc4=O)C(F)(F)F)CCCc12
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| InChI |
InChI=1S/C24H23F3N2O5/c1-13-19-11-15(9-10-18(19)21(30)34-29-13)28-22(31)23(32,24(25,26)27)12-14-5-3-7-17-16(14)6-4-8-20(17)33-2/h4,6,8-11,14,32H,3,5,7,12H2,1-2H3,(H,28,31)
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| InChIKey |
SCMDFQVKAIYDOK-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