General Information of the Compound
| Compound ID |
CP0341244
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| Compound Name |
(1-(3-(7-((5-(4-chlorophenyl)-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 |
C28H34ClN3O3
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| Molecular Weight |
496.051
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| Canonical SMILES |
OCC1CCCN(CCCC2CCCc3ccc(OCc4noc(n4)-c4ccc(Cl)cc4)cc23)C1
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| InChI |
InChI=1S/C28H34ClN3O3/c29-24-11-8-23(9-12-24)28-30-27(31-35-28)19-34-25-13-10-22-6-1-5-21(26(22)16-25)7-3-15-32-14-2-4-20(17-32)18-33/h8-13,16,20-21,33H,1-7,14-15,17-19H2
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| InChIKey |
ISXKOYQKBFARFC-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2