General Information of the Compound
| Compound ID |
CP0144898
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| Compound Name |
1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-2-[8-(4-methyl-piperazin-1-yl)-naphthalen-2-yloxy]-ethanone
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| Structure |
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| Formula |
C29H34N4O4
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| Molecular Weight |
502.615
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
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| InChI |
InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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| InChIKey |
ZKDTULNFGWCQJA-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