General Information of the Compound
| Compound ID |
CP0859497
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| Compound Name |
2-[3-{(spiro[indane-1,4'-piperidin]-1'-yl)methyl}-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
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| Structure |
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1
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| InChI |
InChI=1S/C24H29N3O/c25-23(28)27-16-20-7-2-1-6-19(20)15-21(27)17-26-13-11-24(12-14-26)10-9-18-5-3-4-8-22(18)24/h1-8,21H,9-17H2,(H2,25,28)
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| InChIKey |
ADEPJPWGRSNLTK-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor