General Information of the Compound
| Compound ID |
CP0392010
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| Compound Name |
2-(5-methoxypyridin-2-yl)-1-[2-[2-methoxy-1-(4-pyrimidin-2-ylphenyl)ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
COCC(N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1)c1ccc(cc1)-c1ncccn1
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| InChI |
InChI=1S/C28H33N5O3/c1-35-18-25(21-4-6-22(7-5-21)27-29-12-3-13-30-27)33-19-28(20-33)10-14-32(15-11-28)26(34)16-23-8-9-24(36-2)17-31-23/h3-9,12-13,17,25H,10-11,14-16,18-20H2,1-2H3
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| InChIKey |
RPUPHHMLWAERGS-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