General Information of the Compound
| Compound ID |
CP0547575
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| Compound Name |
4-[4-(1-propylpiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H30F3NO2
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| Molecular Weight |
517.591
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| Canonical SMILES |
CCCN1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H30F3NO2/c1-2-15-36-16-13-23(14-17-36)21-3-5-24(6-4-21)30-20-27(31(37)38)19-26-18-25(9-12-29(26)30)22-7-10-28(11-8-22)32(33,34)35/h3-12,18-20,23H,2,13-17H2,1H3,(H,37,38)
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| InChIKey |
NKUIPHUBNFPHOF-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