General Information of the Compound
| Compound ID |
CP0547018
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| Compound Name |
2-(pyridin-3-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C18H19F3N4O2
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| Molecular Weight |
380.37
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
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| InChI |
InChI=1S/C18H19F3N4O2.ClH/c19-18(20,21)13-3-5-14(6-4-13)24-17(26)25-9-8-23-10-15(25)12-27-16-2-1-7-22-11-16;/h1-7,11,15,23H,8-10,12H2,(H,24,26);1H
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| InChIKey |
BOJCWRSNIGYOSS-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