General Information of the Compound
| Compound ID |
CP0259576
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| Compound Name |
oxalic acid;1-[5-(4-phenylphenoxy)pentyl]piperidine
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| Structure |
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| Formula |
C24H31NO5
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| Molecular Weight |
413.514
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| Canonical SMILES |
OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
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| InChI |
InChI=1S/C22H29NO.C2H2O4/c1-4-10-20(11-5-1)21-12-14-22(15-13-21)24-19-9-3-8-18-23-16-6-2-7-17-23;3-1(4)2(5)6/h1,4-5,10-15H,2-3,6-9,16-19H2;(H,3,4)(H,5,6)
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| InChIKey |
PHZSQKZXVYUBRJ-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2