General Information of the Compound
| Compound ID |
CP0519859
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| Compound Name |
US8623863, 3-2
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| Structure |
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| Formula |
C26H29FN2O2S
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| Molecular Weight |
452.595
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| Canonical SMILES |
CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1nccs1
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| InChI |
InChI=1S/C26H29FN2O2S/c1-17-7-9-22(25-28-11-12-32-25)23(13-17)26(30)29-15-20(6-4-5-19(29)3)16-31-21-8-10-24(27)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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| InChIKey |
IPHDQZVJUOZXGI-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