General Information of the Compound
| Compound ID |
CP0857706
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| Compound Name |
(rac)-(2-(3,4-dimethoxybenzyl)piperidin-1-yl)(1-ethyl-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C25H30N2O3
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| Molecular Weight |
406.526
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| Canonical SMILES |
CCn1cc(C(=O)N2CCCCC2Cc2ccc(OC)c(OC)c2)c2ccccc21
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| InChI |
InChI=1S/C25H30N2O3/c1-4-26-17-21(20-10-5-6-11-22(20)26)25(28)27-14-8-7-9-19(27)15-18-12-13-23(29-2)24(16-18)30-3/h5-6,10-13,16-17,19H,4,7-9,14-15H2,1-3H3
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| InChIKey |
LETOFERGIVCZGO-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: PT02001, Orexin/Hypocretin receptor type 1