General Information of the Compound
| Compound ID |
CP0876490
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| Compound Name |
3-Chloro-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-9H-xanthen-9-one dihydrochloride
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| Structure |
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| Formula |
C20H24Cl4N2O3
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| Molecular Weight |
482.235
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| Canonical SMILES |
Cl.Cl.Cl.O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12
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| InChI |
InChI=1S/C20H21ClN2O3.3ClH/c21-15-4-5-16-18(12-15)26-20-14(2-1-3-17(20)19(16)25)13-23-8-6-22(7-9-23)10-11-24;;;/h1-5,12,24H,6-11,13H2;3*1H
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| InChIKey |
UVTVRBDYRRAHHY-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