General Information of the Compound
| Compound ID |
CP0379310
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| Compound Name |
(1R,2S)-2-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C24H24N2O4
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| Molecular Weight |
404.466
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| Canonical SMILES |
COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C24H24N2O4/c1-28-20-12-11-17(14-21(20)29-2)24(16-30-18-8-4-3-5-9-18)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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| InChIKey |
QVPVVEXTVJPQSR-YADARESESA-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