General Information of the Compound
| Compound ID |
CP0531880
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| Compound Name |
3-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H22F3N5O2
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| Molecular Weight |
493.489
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H22F3N5O2/c27-26(28,29)21-5-1-18(2-6-21)24-16-34(32-31-24)23-14-19(13-20(15-23)25(35)36)17-3-7-22(8-4-17)33-11-9-30-10-12-33/h1-8,13-16,30H,9-12H2,(H,35,36)
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| InChIKey |
GSFZEBQEWYYWBC-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