General Information of the Compound
| Compound ID |
CP0508964
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| Compound Name |
US10011588, Example 33
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| Structure |
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| Formula |
C17H15F5N4O
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| Molecular Weight |
386.324
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F5N4O/c18-9-3-1-4-10(19)15(9)16(27)26-12-6-2-5-11(12)25-14-8-23-13(7-24-14)17(20,21)22/h1,3-4,7-8,11-12H,2,5-6H2,(H,24,25)(H,26,27)/t11-,12-/m0/s1
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| InChIKey |
QMUQTLLQGUSFDS-RYUDHWBXSA-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