General Information of the Compound
| Compound ID |
CP0551572
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| Compound Name |
3-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C26H17F3N4O4
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| Molecular Weight |
506.44
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| Canonical SMILES |
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C26H17F3N4O4/c27-26(28,29)20-7-5-17(6-8-20)24-13-33(32-30-24)21-10-18(9-19(11-21)25(35)36)15-1-3-16(4-2-15)23-12-22(14-34)37-31-23/h1-13,34H,14H2,(H,35,36)
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| InChIKey |
BHIJCDLCYUTQCS-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: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14