General Information of the Compound
| Compound ID |
CP0245075
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| Compound Name |
N-[3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-ynyl]acetamide
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| Formula |
C15H11F3N2O4
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| Molecular Weight |
340.257
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| Canonical SMILES |
CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C15H11F3N2O4/c1-9(21)19-6-2-3-10-4-5-13-11(7-10)8-12(20(22)23)14(24-13)15(16,17)18/h4-5,7-8,14H,6H2,1H3,(H,19,21)
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| InChIKey |
OVXPWLPUGMYBAI-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