General Information of the Compound
| Compound ID |
CP0525378
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| Compound Name |
3-Methoxy-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-benzamide
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| Structure |
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| Formula |
C21H15F6NO3
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| Molecular Weight |
443.343
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1c(ccc2ccccc12)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F6NO3/c1-31-14-7-4-6-13(11-14)18(29)28-17-15-8-3-2-5-12(15)9-10-16(17)19(30,20(22,23)24)21(25,26)27/h2-11,30H,1H3,(H,28,29)
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| InChIKey |
RPRAUIIYWXDNOR-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