General Information of the Compound
| Compound ID |
CP0420706
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| Compound Name |
1-(dibenzofuran-2-ylmethyl)-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C26H25NO4
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| Molecular Weight |
415.489
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| Canonical SMILES |
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
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| InChI |
InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3
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| InChIKey |
PEAXRVOYMYUBCP-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1