General Information of the Compound
| Compound ID |
CP0524344
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| Compound Name |
2-[1-(2,5-Bis-trifluoromethyl-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C20H14F6O2
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| Molecular Weight |
400.318
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| Canonical SMILES |
COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(ccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H14F6O2/c1-28-15-5-6-16-11(10-15)2-3-12(18(16)27)8-13-9-14(19(21,22)23)4-7-17(13)20(24,25)26/h4-10H,2-3H2,1H3/b12-8+
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| InChIKey |
IXZZFNHTUJLXGK-XYOKQWHBSA-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