General Information of the Compound
| Compound ID |
CP0523660
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| Compound Name |
9-(4,6-dimethylpyrimidin-2-yl)-2-[(1-methylindol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C25H31N5O
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| Molecular Weight |
417.557
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3cn(C)c4ccccc34)C2=O)CC1
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| InChI |
InChI=1S/C25H31N5O/c1-18-15-19(2)27-24(26-18)29-13-10-25(11-14-29)9-6-12-30(23(25)31)17-20-16-28(3)22-8-5-4-7-21(20)22/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3
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| InChIKey |
PVPZCYTVIMWDJE-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