General Information of the Compound
| Compound ID |
CP0212546
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| Compound Name |
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
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| InChI |
InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3
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| InChIKey |
LBZCSAKYODBTBW-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