General Information of the Compound
| Compound ID |
CP0899808
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| Compound Name |
(S)-(2-(3,4-dimethoxybenzyl)pyrrolidin-1-yl)(2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)methanone
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-c2nc(C)no2)cc1OC
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| InChI |
InChI=1S/C23H25N3O4/c1-15-24-22(30-25-15)18-8-4-5-9-19(18)23(27)26-12-6-7-17(26)13-16-10-11-20(28-2)21(14-16)29-3/h4-5,8-11,14,17H,6-7,12-13H2,1-3H3/t17-/m0/s1
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| InChIKey |
JZHKVYBNWKFHNL-KRWDZBQOSA-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