General Information of the Compound
| Compound ID |
CP0335540
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| Compound Name |
6-methyl-7-(2-naphthalen-1-ylethynyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
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| Structure |
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| Formula |
C21H23NO
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| Molecular Weight |
305.421
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| Canonical SMILES |
CC1CN2CCCC2CC1(O)C#Cc1cccc2ccccc12
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| InChI |
InChI=1S/C21H23NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,13-15H2,1H3
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| InChIKey |
KJULEEZSUWCDAJ-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