General Information of the Compound
| Compound ID |
CP0474805
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| Compound Name |
US8623863, 3-6
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
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| InChI |
InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3
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| InChIKey |
PVMCDLVEVSDOOK-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