General Information of the Compound
| Compound ID |
CP0454106
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| Compound Name |
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C21H18F3NO3
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| Molecular Weight |
389.373
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| Canonical SMILES |
COc1ccc2cccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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| InChI |
InChI=1S/C21H18F3NO3/c1-27-18-10-5-14-3-2-4-15(19(14)13-18)11-12-25-20(26)16-6-8-17(9-7-16)28-21(22,23)24/h2-10,13H,11-12H2,1H3,(H,25,26)
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| InChIKey |
DVZBJEFEMOMQOZ-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