General Information of the Compound
| Compound ID |
CP0549931
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| Compound Name |
US10011588, Example 143
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| Structure |
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| Formula |
C23H22F3N7O
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| Molecular Weight |
469.471
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| Canonical SMILES |
FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-c2ncccn2)c(n1)C1CC1
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| InChI |
InChI=1S/C23H22F3N7O/c24-23(25,26)17-12-30-21(18(33-17)13-7-8-13)31-15-5-1-6-16(15)32-22(34)19-14(4-2-9-27-19)20-28-10-3-11-29-20/h2-4,9-13,15-16H,1,5-8H2,(H,30,31)(H,32,34)/t15-,16-/m0/s1
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| InChIKey |
HMBQAXPSSHQUTP-HOTGVXAUSA-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