General Information of the Compound
| Compound ID |
CP0405798
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| Compound Name |
(6R)-6-[propyl(4-pyrazolo[1,5-a]pyridin-6-yloxybutyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
CCCN(CCCCOc1ccc2ccnn2c1)[C@@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m1/s1
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| InChIKey |
JQXMVFBXXAKVDC-OAQYLSRUSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor