General Information of the Compound
| Compound ID |
CP0539402
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| Compound Name |
5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1H-1,2,4-triazole-3-carboxamide
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| Structure |
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| Formula |
C15H16F3N5O2
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| Molecular Weight |
355.32
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| Canonical SMILES |
NC(=O)c1nnc([nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C15H16F3N5O2/c16-15(17,18)10-3-1-2-4-11(10)25-9-5-7-23(8-6-9)14-20-13(12(19)24)21-22-14/h1-4,9H,5-8H2,(H2,19,24)(H,20,21,22)
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| InChIKey |
QRPLDPMGPWGQNY-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