General Information of the Compound
| Compound ID |
CP0400054
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| Compound Name |
3,4-dihydro-2H-quinolin-1-yl-[(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-2-phenylcyclopropyl]methanone
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| Structure |
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| Formula |
C28H29NO4
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| Molecular Weight |
443.543
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| Canonical SMILES |
COc1ccc(OC[C@]2(C[C@H]2C(=O)N2CCCc3ccccc23)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1
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| InChIKey |
KNZRGDMEJAEMIQ-NEKDWFFYSA-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