General Information of the Compound
| Compound ID |
CP0538979
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| Compound Name |
US10011588, Example 62
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| Structure |
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| Formula |
C18H16F6N4O
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| Molecular Weight |
418.341
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| Canonical SMILES |
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2C(F)(F)F)cn1
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| InChI |
InChI=1S/C18H16F6N4O/c19-17(20,21)11-5-2-1-4-10(11)16(29)28-13-7-3-6-12(13)27-15-9-25-14(8-26-15)18(22,23)24/h1-2,4-5,8-9,12-13H,3,6-7H2,(H,26,27)(H,28,29)/t12-,13-/m0/s1
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| InChIKey |
RYRMTJIVZIXIJM-STQMWFEESA-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