General Information of the Compound
| Compound ID |
CP0531577
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| Compound Name |
US10011588, Example 19
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| Structure |
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| Formula |
C19H17F3N6O2
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| Molecular Weight |
418.379
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| Canonical SMILES |
FC(F)(F)c1cnc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)cn1
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| InChI |
InChI=1S/C19H17F3N6O2/c20-19(21,22)16-10-24-17(11-23-16)30-15-7-3-5-13(15)27-18(29)12-4-1-2-6-14(12)28-25-8-9-26-28/h1-2,4,6,8-11,13,15H,3,5,7H2,(H,27,29)/t13-,15+/m0/s1
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| InChIKey |
VMURNTXERFEPNC-DZGCQCFKSA-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