General Information of the Compound
| Compound ID |
CP0426370
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| Compound Name |
US10011588, Example 127
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| Structure |
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| Formula |
C19H16F5N7O
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| Molecular Weight |
453.375
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| Canonical SMILES |
FC(F)(F)c1cnc(NC2CC(F)(F)CC2NC(=O)c2ccccc2-n2nccn2)nc1
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| InChI |
InChI=1S/C19H16F5N7O/c20-18(21)7-13(14(8-18)30-17-25-9-11(10-26-17)19(22,23)24)29-16(32)12-3-1-2-4-15(12)31-27-5-6-28-31/h1-6,9-10,13-14H,7-8H2,(H,29,32)(H,25,26,30)
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| InChIKey |
PUQHWAAVNWPHCN-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