General Information of the Compound
| Compound ID |
CP0854736
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| Compound Name |
(2R,6S)-1,7-dimethyl-4-(4-nitro-3-trifluoromethyl-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C17H15F3N2O5
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| Molecular Weight |
384.31
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)[C@H]12
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| InChI |
InChI=1S/C17H15F3N2O5/c1-15-5-6-16(2,27-15)12-11(15)13(23)21(14(12)24)8-3-4-10(22(25)26)9(7-8)17(18,19)20/h3-4,7,11-12H,5-6H2,1-2H3/t11-,12+,15?,16?
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| InChIKey |
FNRBOYWQWWHCDP-RJAIZQQDSA-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