General Information of the Compound
| Compound ID |
CP0410496
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| Compound Name |
1-[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(4-methoxyphenyl)ethanone
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| Structure |
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| Formula |
C27H29ClN4O2
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| Molecular Weight |
477.008
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-c4ncccn4)C3)CC2)cc1
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| InChI |
InChI=1S/C27H29ClN4O2/c1-34-23-7-3-20(4-8-23)15-25(33)32-13-9-27(10-14-32)18-31(19-27)17-22-6-5-21(16-24(22)28)26-29-11-2-12-30-26/h2-8,11-12,16H,9-10,13-15,17-19H2,1H3
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| InChIKey |
SKPDLRFQCWNVQC-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2