General Information of the Compound
| Compound ID |
CP0478635
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| Compound Name |
US10011588, Example 58
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| Structure |
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| Formula |
C17H15F6N5O2
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| Molecular Weight |
435.328
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| Canonical SMILES |
FC(F)(F)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F6N5O2/c18-16(19,20)12-7-26-13(8-25-12)27-9-3-1-4-10(9)28-15(29)14-11(5-2-6-24-14)30-17(21,22)23/h2,5-10H,1,3-4H2,(H,26,27)(H,28,29)/t9-,10-/m0/s1
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| InChIKey |
ZHBMNTVRIQHVHC-UWVGGRQHSA-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