General Information of the Compound
| Compound ID |
CP0387616
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| Compound Name |
1-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]-2-phenylethanone
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| Structure |
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| Formula |
C26H26O4
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| Molecular Weight |
402.49
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| Canonical SMILES |
COc1ccc(OC[C@]2(C[C@H]2C(=O)Cc2ccccc2)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C26H26O4/c1-28-24-14-13-21(16-25(24)29-2)30-18-26(20-11-7-4-8-12-20)17-22(26)23(27)15-19-9-5-3-6-10-19/h3-14,16,22H,15,17-18H2,1-2H3/t22-,26+/m0/s1
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| InChIKey |
QOTNOKYETCFDOF-BKMJKUGQSA-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