General Information of the Compound
| Compound ID |
CP0909449
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| Compound Name |
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-9H-xanthen-9-one hydrochloride
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| Structure |
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| Formula |
C25H25ClN2O3
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| Molecular Weight |
436.939
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1.Cl
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| InChI |
InChI=1S/C25H24N2O3.ClH/c1-29-24-9-5-3-7-21(24)27-14-12-26(13-15-27)17-18-10-11-23-20(16-18)25(28)19-6-2-4-8-22(19)30-23;/h2-11,16H,12-15,17H2,1H3;1H
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| InChIKey |
CEDQMAWSLGGYBZ-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