General Information of the Compound
| Compound ID |
CP0047323
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| Compound Name |
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
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| InChI |
InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
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| InChIKey |
YQYCCALLKWCCSO-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D