General Information of the Compound
| Compound ID |
CP0254768
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| Compound Name |
2-[3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-ynyl]isoindole-1,3-dione
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| Formula |
C21H11F3N2O5
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| Molecular Weight |
428.322
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| Canonical SMILES |
[O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CCN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H11F3N2O5/c22-21(23,24)18-16(26(29)30)11-13-10-12(7-8-17(13)31-18)4-3-9-25-19(27)14-5-1-2-6-15(14)20(25)28/h1-2,5-8,10-11,18H,9H2
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| InChIKey |
ZVNIAPHCOMMUCZ-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