General Information of the Compound
| Compound ID |
CP0548924
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| Compound Name |
4-[4-(1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H29F3NO2+
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| Molecular Weight |
516.583
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| Canonical SMILES |
C[N+]12CCC(CC1)(CC2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H28F3NO2/c1-36-15-12-31(13-16-36,14-17-36)26-7-4-22(5-8-26)29-20-25(30(37)38)19-24-18-23(6-11-28(24)29)21-2-9-27(10-3-21)32(33,34)35/h2-11,18-20H,12-17H2,1H3/p+1
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| InChIKey |
LTEDSKLEEXLKDM-UHFFFAOYSA-O
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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
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT05244, P2Y purinoceptor 14