General Information of the Compound
| Compound ID |
CP0472559
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| Compound Name |
[(2R,5R)-5-[4-[(dimethylamino)methyl]-5-phenyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(CN(C)C)c(o1)-c1ccccc1
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| InChI |
InChI=1S/C27H30N6O2/c1-19-13-14-21(26-30-23(18-31(2)3)25(35-26)20-9-5-4-6-10-20)17-32(19)27(34)22-11-7-8-12-24(22)33-28-15-16-29-33/h4-12,15-16,19,21H,13-14,17-18H2,1-3H3/t19-,21-/m1/s1
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| InChIKey |
JKPFXWCWKYDCSB-TZIWHRDSSA-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