General Information of the Compound
| Compound ID |
CP0930265
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| Compound Name |
(rac)-(2-(3,4-dimethoxyphenethyl)piperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
COc1ccc(CCC2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1OC
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| InChI |
InChI=1S/C25H30N4O3/c1-18-7-11-22(29-26-13-14-27-29)21(16-18)25(30)28-15-5-4-6-20(28)10-8-19-9-12-23(31-2)24(17-19)32-3/h7,9,11-14,16-17,20H,4-6,8,10,15H2,1-3H3
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| InChIKey |
HNHDYWKKLRPPTA-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