General Information of the Compound
| Compound ID |
CP0551575
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| Compound Name |
4-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Formula |
C28H18F3NO4
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| Molecular Weight |
489.449
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| Canonical SMILES |
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C28H18F3NO4/c29-28(30,31)22-8-5-16(6-9-22)19-7-10-24-20(11-19)12-21(27(34)35)13-25(24)17-1-3-18(4-2-17)26-14-23(15-33)36-32-26/h1-14,33H,15H2,(H,34,35)
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| InChIKey |
DGWKKXZJRYOKLQ-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
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT05244, P2Y purinoceptor 14
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2