General Information of the Compound
| Compound ID |
CP0463175
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| Compound Name |
US8623863, 4-9
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| Structure |
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| Formula |
C23H25FN4O3
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| Molecular Weight |
424.476
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| Canonical SMILES |
CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3
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| InChIKey |
PCGUUGMCMFOUCN-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