General Information of the Compound
| Compound ID |
CP0221518
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| Compound Name |
5-(1H-pyrazol-5-yl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
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| Structure |
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| Formula |
C21H16F3N3O4
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| Molecular Weight |
431.37
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| Canonical SMILES |
OC(=O)c1cc2cc(ccc2n1CCOc1ccc(OC(F)(F)F)cc1)-c1cc[nH]n1
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| InChI |
InChI=1S/C21H16F3N3O4/c22-21(23,24)31-16-4-2-15(3-5-16)30-10-9-27-18-6-1-13(17-7-8-25-26-17)11-14(18)12-19(27)20(28)29/h1-8,11-12H,9-10H2,(H,25,26)(H,28,29)
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| InChIKey |
YMPXJQPXFDQSNV-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