General Information of the Compound
| Compound ID |
CP0876491
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| Compound Name |
6-Methoxy-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-9H-xanthen-9-one hydrochloride
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| Structure |
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| Formula |
C26H27ClN2O4
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| Molecular Weight |
466.965
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| Canonical SMILES |
COc1ccc2c(=O)c3cc(CN4CCN(c5ccccc5OC)CC4)ccc3oc2c1.Cl
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| InChI |
InChI=1S/C26H26N2O4.ClH/c1-30-19-8-9-20-25(16-19)32-23-10-7-18(15-21(23)26(20)29)17-27-11-13-28(14-12-27)22-5-3-4-6-24(22)31-2;/h3-10,15-16H,11-14,17H2,1-2H3;1H
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| InChIKey |
AXFJMHXYBNQVLB-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7