General Information of the Compound
| Compound ID |
CP0408989
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| Compound Name |
9-(4,6-dimethylpyrimidin-2-yl)-2-[(2-methyl-5-phenyltriazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C25H31N7O
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| Molecular Weight |
445.571
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3nn(C)nc3-c3ccccc3)C2=O)CC1
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| InChI |
InChI=1S/C25H31N7O/c1-18-16-19(2)27-24(26-18)31-14-11-25(12-15-31)10-7-13-32(23(25)33)17-21-22(29-30(3)28-21)20-8-5-4-6-9-20/h4-6,8-9,16H,7,10-15,17H2,1-3H3
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| InChIKey |
WULGBJRECIPVCK-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