General Information of the Compound
| Compound ID |
CP0550813
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| Compound Name |
6-(2-cyclopropylethynyl)-3-nitro-2-(trifluoromethyl)-2H-chromene
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| Formula |
C15H10F3NO3
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| Molecular Weight |
309.243
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| Canonical SMILES |
[O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CC1CC1
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| InChI |
InChI=1S/C15H10F3NO3/c16-15(17,18)14-12(19(20)21)8-11-7-10(4-3-9-1-2-9)5-6-13(11)22-14/h5-9,14H,1-2H2
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| InChIKey |
FGTLTMDWLCCRDK-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