General Information of the Compound
| Compound ID |
CP0514994
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| Compound Name |
US10011588, Example 132
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| Structure |
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| Formula |
C20H16F6N6O
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| Molecular Weight |
470.377
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| Canonical SMILES |
Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F
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| InChI |
InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1
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| InChIKey |
CEUMPKROGDDTHP-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