General Information of the Compound
| Compound ID |
CP0538983
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| Compound Name |
US10011588, Example 18
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| Structure |
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| Formula |
C19H18F3N7O
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| Molecular Weight |
417.395
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| Canonical SMILES |
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)nc1
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| InChI |
InChI=1S/C19H18F3N7O/c20-19(21,22)12-10-23-18(24-11-12)28-15-6-3-5-14(15)27-17(30)13-4-1-2-7-16(13)29-25-8-9-26-29/h1-2,4,7-11,14-15H,3,5-6H2,(H,27,30)(H,23,24,28)/t14-,15-/m0/s1
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| InChIKey |
NUERNMIYQHXGQH-GJZGRUSLSA-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