General Information of the Compound
| Compound ID |
CP0510500
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| Compound Name |
6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one
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| Structure |
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| Formula |
C27H26N2O3
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| Molecular Weight |
426.516
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| Canonical SMILES |
COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3
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| InChIKey |
OESUYCBPTZMHEI-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