General Information of the Compound
| Compound ID |
CP0545692
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| Compound Name |
US10011588, Example 65
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| Structure |
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| Formula |
C18H17F5N4O
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| Molecular Weight |
400.351
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| Canonical SMILES |
FC(F)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C18H17F5N4O/c19-16(20)10-4-1-2-5-11(10)17(28)27-13-7-3-6-12(13)26-15-9-24-14(8-25-15)18(21,22)23/h1-2,4-5,8-9,12-13,16H,3,6-7H2,(H,25,26)(H,27,28)/t12-,13-/m0/s1
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| InChIKey |
VEADERCDTCHJII-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