General Information of the Compound
| Compound ID |
CP0088519
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| Compound Name |
2-{[(3r,6r)-1-{[4-methoxy-2- (2h-1,2,3-triazol-2- yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]oxy}-3- methylpyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H24N6O3
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| Molecular Weight |
432.484
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(c1)-n1nccn1
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| InChI |
InChI=1S/C23H24N6O3/c1-15-4-5-19(32-22-16(2)17(13-24)8-9-25-22)14-28(15)23(30)20-7-6-18(31-3)12-21(20)29-26-10-11-27-29/h6-12,15,19H,4-5,14H2,1-3H3/t15-,19-/m1/s1
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| InChIKey |
GNXXSBWPJIOWSN-DNVCBOLYSA-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