General Information of the Compound
| Compound ID |
CP0283391
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| Compound Name |
US9242970, 263
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| Structure |
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| Formula |
C22H24F3NO4
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| Molecular Weight |
423.431
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| Canonical SMILES |
CC[C@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC
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| InChI |
InChI=1S/C22H24F3NO4/c1-4-15-12-17(20-18(28-2)6-5-7-19(20)29-3)26(21(15)27)13-14-8-10-16(11-9-14)30-22(23,24)25/h5-11,15,17H,4,12-13H2,1-3H3/t15-,17-/m0/s1
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| InChIKey |
AOCDGVABEPVMBN-RDJZCZTQSA-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