General Information of the Compound
| Compound ID |
CP0542117
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| Compound Name |
US8623863, 2-11
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| Structure |
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| Formula |
C22H24FN5O2
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| Molecular Weight |
409.465
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| Canonical SMILES |
CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C22H24FN5O2/c1-16-5-4-6-17(15-30-21-10-9-18(23)13-24-21)14-27(16)22(29)19-7-2-3-8-20(19)28-25-11-12-26-28/h2-3,7-13,16-17H,4-6,14-15H2,1H3
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| InChIKey |
KUQPGEGIXJVINV-UHFFFAOYSA-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: PT03559, Orexin/Hypocretin receptor type 1