General Information of the Compound
| Compound ID |
CP0496514
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| Compound Name |
azepan-1-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
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| Structure |
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C23H33N3O2/c1-17(2)25-13-9-19(10-14-25)28-20-7-8-21-18(15-20)16-22(24-21)23(27)26-11-5-3-4-6-12-26/h7-8,15-17,19,24H,3-6,9-14H2,1-2H3
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| InChIKey |
OARMAHSONWWGIV-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