General Information of the Compound
| Compound ID |
CP0420570
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| Compound Name |
5-(4-piperidin-4-ylphenyl)-3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]-1H-pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C25H22F3N5O2
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| Molecular Weight |
481.478
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| Canonical SMILES |
OC(=O)c1[nH]c(cc1-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C25H22F3N5O2/c26-25(27,28)18-5-7-19(8-6-18)33-14-22(31-32-33)20-13-21(30-23(20)24(34)35)17-3-1-15(2-4-17)16-9-11-29-12-10-16/h1-8,13-14,16,29-30H,9-12H2,(H,34,35)
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| InChIKey |
OIPQTSAKGVHPCF-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