General Information of the Compound
| Compound ID |
CP0479738
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| Compound Name |
9-(4,6-dimethylpyrimidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C23H28N6O
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| Molecular Weight |
404.518
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3c[nH]c4ncccc34)C2=O)CC1
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| InChI |
InChI=1S/C23H28N6O/c1-16-13-17(2)27-22(26-16)28-11-7-23(8-12-28)6-4-10-29(21(23)30)15-18-14-25-20-19(18)5-3-9-24-20/h3,5,9,13-14H,4,6-8,10-12,15H2,1-2H3,(H,24,25)
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| InChIKey |
PLQNUKMXMFKNRX-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