General Information of the Compound
| Compound ID |
CP0417071
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| Compound Name |
2-({(3r,6r)-1-[(6-methoxy- 2,4'-bipyridin-3-yl)carbonyl]- 6-methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)-c1ccncc1
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| InChI |
InChI=1S/C25H25N5O3/c1-16-4-5-20(33-24-17(2)19(14-26)10-13-28-24)15-30(16)25(31)21-6-7-22(32-3)29-23(21)18-8-11-27-12-9-18/h6-13,16,20H,4-5,15H2,1-3H3/t16-,20-/m1/s1
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| InChIKey |
DDQFSNGVSUTALS-OXQOHEQNSA-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