General Information of the Compound
| Compound ID |
CP0846085
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| Compound Name |
6-methoxy-2-{[4-(benzyl)piperazin-1-yl]methyl}-9H-xanthen-9-one dihydrochloride
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| Structure |
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| Formula |
C26H28Cl2N2O3
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| Molecular Weight |
487.427
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| Canonical SMILES |
COc1ccc2c(=O)c3cc(CN4CCN(Cc5ccccc5)CC4)ccc3oc2c1.Cl.Cl
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| InChI |
InChI=1S/C26H26N2O3.2ClH/c1-30-21-8-9-22-25(16-21)31-24-10-7-20(15-23(24)26(22)29)18-28-13-11-27(12-14-28)17-19-5-3-2-4-6-19;;/h2-10,15-16H,11-14,17-18H2,1H3;2*1H
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| InChIKey |
MQERJIWGUFTZIP-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