General Information of the Compound
| Compound ID |
CP0404035
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| Compound Name |
2-(4-methoxyphenyl)-1-[2-[(1R)-5-(triazol-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 |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)cc1
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| InChI |
InChI=1S/C27H31N5O2/c1-34-23-6-2-20(3-7-23)16-26(33)30-14-10-27(11-15-30)18-31(19-27)25-9-4-21-17-22(5-8-24(21)25)32-28-12-13-29-32/h2-3,5-8,12-13,17,25H,4,9-11,14-16,18-19H2,1H3/t25-/m1/s1
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| InChIKey |
TYYSKYJWHWZGJF-RUZDIDTESA-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