General Information of the Compound
| Compound ID |
CP0144277
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| Compound Name |
(1-(3-(7-((5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-yl)propyl)piperidin-3-yl)methanol
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| Structure |
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| Formula |
C28H34FN3O3
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| Molecular Weight |
479.596
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| Canonical SMILES |
OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(n4)-c4ccccc4F)cc23)C1
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| InChI |
InChI=1S/C28H34FN3O3/c29-26-11-2-1-10-24(26)28-30-27(31-35-28)19-34-23-13-12-22-8-3-7-21(25(22)16-23)9-5-15-32-14-4-6-20(17-32)18-33/h1-2,10-13,16,20-21,33H,3-9,14-15,17-19H2
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| InChIKey |
RSMAUOLRSZMOCD-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2