General Information of the Compound
| Compound ID |
CP0579698
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| Compound Name |
4-[4-(2-methylpiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C30H26F3NO2
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| Molecular Weight |
489.537
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| Canonical SMILES |
CC1CC(CCN1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C30H26F3NO2/c1-18-14-23(12-13-34-18)19-2-4-21(5-3-19)28-17-25(29(35)36)16-24-15-22(8-11-27(24)28)20-6-9-26(10-7-20)30(31,32)33/h2-11,15-18,23,34H,12-14H2,1H3,(H,35,36)
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| InChIKey |
FBKNBJADEALZJU-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