General Information of the Compound
| Compound ID |
CP0523298
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| Compound Name |
US10011588, Example 145
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| Structure |
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| Formula |
C21H21F3N6O2
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| Molecular Weight |
446.433
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| Canonical SMILES |
Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1
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| InChIKey |
HOGCJGWOKMWHMI-YWZLYKJASA-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