General Information of the Compound
| Compound ID |
CP0510326
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| Compound Name |
US9242970, 253
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| Structure |
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| Formula |
C20H20F3NO5
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| Molecular Weight |
411.376
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| Canonical SMILES |
COc1cccc(OC)c1[C@@H]1C[C@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C20H20F3NO5/c1-27-16-4-3-5-17(28-2)18(16)14-10-15(25)19(26)24(14)11-12-6-8-13(9-7-12)29-20(21,22)23/h3-9,14-15,25H,10-11H2,1-2H3/t14-,15-/m0/s1
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| InChIKey |
QAUTYBBMQXPFIE-GJZGRUSLSA-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