General Information of the Compound
| Compound ID |
CP0566940
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| Compound Name |
N-phenyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
O=C(Nc1ccccc1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C17H20N4O2.ClH/c22-17(20-14-5-2-1-3-6-14)21-10-9-19-11-15(21)13-23-16-7-4-8-18-12-16;/h1-8,12,15,19H,9-11,13H2,(H,20,22);1H
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| InChIKey |
ILXHWIXGTPYVMO-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