General Information of the Compound
| Compound ID |
CP0410121
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| Compound Name |
2-(3-Trifluoromethyl-benzyl)-naphthalen-1-ol
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| Structure |
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| Formula |
C18H13F3O
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| Molecular Weight |
302.295
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| Canonical SMILES |
Oc1c(Cc2cccc(c2)C(F)(F)F)ccc2ccccc12
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| InChI |
InChI=1S/C18H13F3O/c19-18(20,21)15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)22/h1-9,11,22H,10H2
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| InChIKey |
IARCQYGLHWJGQQ-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