General Information of the Compound
| Compound ID |
CP0519852
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| Compound Name |
US10011588, Example 26
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| Structure |
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| Formula |
C22H22F3N5O
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| Molecular Weight |
429.446
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)NC1CCCC1Cc1ccc(cn1)C(F)(F)F)-n1nccn1
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| InChI |
InChI=1S/C22H22F3N5O/c1-14-5-8-20(30-27-9-10-28-30)18(11-14)21(31)29-19-4-2-3-15(19)12-17-7-6-16(13-26-17)22(23,24)25/h5-11,13,15,19H,2-4,12H2,1H3,(H,29,31)
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| InChIKey |
JZZVVOYXYUGHND-UHFFFAOYSA-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