General Information of the Compound
| Compound ID |
CP0515292
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| Compound Name |
2-(5-ethylpyridin-2-yl)-1-[2-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C29H33N5O
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| Molecular Weight |
467.617
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| Canonical SMILES |
CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
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| InChI |
InChI=1S/C29H33N5O/c1-2-21-4-7-24(32-18-21)17-27(35)33-14-10-29(11-15-33)19-34(20-29)26-9-6-22-16-23(5-8-25(22)26)28-30-12-3-13-31-28/h3-5,7-8,12-13,16,18,26H,2,6,9-11,14-15,17,19-20H2,1H3/t26-/m1/s1
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| InChIKey |
WUKHDLMVEFYYHY-AREMUKBSSA-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