General Information of the Compound
| Compound ID |
CP0441641
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| Compound Name |
N,N-dimethyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxamide
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| Structure |
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| Formula |
C23H26N6O3
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| Molecular Weight |
434.5
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C(=O)N(C)C
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| InChI |
InChI=1S/C23H26N6O3/c1-16-8-9-18(32-21-14-17(10-11-24-21)22(30)27(2)3)15-28(16)23(31)19-6-4-5-7-20(19)29-25-12-13-26-29/h4-7,10-14,16,18H,8-9,15H2,1-3H3/t16-,18-/m1/s1
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| InChIKey |
RGMSPAFXQHLMAA-SJLPKXTDSA-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