General Information of the Compound
| Compound ID |
CP0501675
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| Compound Name |
1,2,5-trimethyl-4-(2-quinolin-8-ylethynyl)piperidin-4-ol
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
CC1CC(O)(C#Cc2cccc3cccnc23)C(C)CN1C
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| InChI |
InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-17-7-4-6-16-8-5-11-20-18(16)17/h4-8,11,14-15,22H,12-13H2,1-3H3
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| InChIKey |
KOCLLQZLNFFUQH-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: PT03665, Histamine H3 receptor