General Information of the Compound
| Compound ID |
CP0494438
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| Compound Name |
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(4-methoxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C23H33N3O3
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| Molecular Weight |
399.535
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| Canonical SMILES |
COC1CCN(CC1)C(=O)c1cc2cc(OC3CCN(CC3)C(C)C)ccc2[nH]1
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| InChI |
InChI=1S/C23H33N3O3/c1-16(2)25-10-8-19(9-11-25)29-20-4-5-21-17(14-20)15-22(24-21)23(27)26-12-6-18(28-3)7-13-26/h4-5,14-16,18-19,24H,6-13H2,1-3H3
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| InChIKey |
WKMRKBPUKMGAQZ-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: PT01173, Histamine H3 receptor