General Information of the Compound
| Compound ID |
CP0569577
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| Compound Name |
6-ethynyl-3-nitro-2-(trifluoromethyl)-2H-chromene
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| Formula |
C12H6F3NO3
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| Molecular Weight |
269.178
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| Canonical SMILES |
[O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#C
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| InChI |
InChI=1S/C12H6F3NO3/c1-2-7-3-4-10-8(5-7)6-9(16(17)18)11(19-10)12(13,14)15/h1,3-6,11H
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| InChIKey |
OSEXMTNYNVBWSB-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