General Information of the Compound
| Compound ID |
CP0379658
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| Compound Name |
2-(5-methoxypyridin-2-yl)-1-[2-[(1R)-5-(5-methylpyrimidin-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 |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1
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| InChI |
InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1
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| InChIKey |
SEGKTHKDKIHNOM-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