General Information of the Compound
| Compound ID |
CP0484841
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| Compound Name |
US10011588, Example 76
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| Structure |
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| Formula |
C19H19F3N8O
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| Molecular Weight |
432.41
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| Canonical SMILES |
Cc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N8O/c1-11-17(24-10-15(27-11)19(20,21)22)28-12-4-2-5-13(12)29-18(31)16-14(6-3-7-23-16)30-25-8-9-26-30/h3,6-10,12-13H,2,4-5H2,1H3,(H,24,28)(H,29,31)/t12-,13-/m0/s1
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| InChIKey |
KVMCNVWYIACSPG-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