General Information of the Compound
| Compound ID |
CP0053165
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| Compound Name |
(3S,5S)-5-[(E)-2-cyclopropylethenyl]-3-ethyl-6,7-difluoro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one
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| Structure |
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| Formula |
C17H16F5NO2
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| Molecular Weight |
361.31
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| Canonical SMILES |
CC[C@@H]1O[C@@](\C=C\C2CC2)(c2c(F)c(F)ccc2NC1=O)C(F)(F)F
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| InChI |
InChI=1S/C17H16F5NO2/c1-2-12-15(24)23-11-6-5-10(18)14(19)13(11)16(25-12,17(20,21)22)8-7-9-3-4-9/h5-9,12H,2-4H2,1H3,(H,23,24)/b8-7+/t12-,16-/m0/s1
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| InChIKey |
MSJCAWWJIHDUAU-OSTNNTLRSA-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