General Information of the Compound
| Compound ID |
CP0390184
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| Compound Name |
1-(5-naphthalen-1-yloxypentyl)azepane
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| Structure |
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| Formula |
C21H29NO
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| Molecular Weight |
311.469
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| Canonical SMILES |
C(CCOc1cccc2ccccc12)CCN1CCCCCC1
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| InChI |
InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2
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| InChIKey |
CDPGITMKSDQGJF-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01194, Histamine H3 receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
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TI
LI
LO
TS
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| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 25320 nM
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TI
LI
LO
TS
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