General Information of the Compound
| Compound ID |
CP0093209
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| Compound Name |
[4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxypiperidin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C26H36N2O3
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| Molecular Weight |
424.585
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| Canonical SMILES |
O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
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| InChI |
InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2
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| InChIKey |
KOAYFGOVRZLWGD-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