General Information of the Compound
| Compound ID |
CP0556855
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| Compound Name |
1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
CN(C)C1(CCC2(CCN(C2)C(=O)CC2(CCC2)C#N)CC1)c1ccccc1
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| InChI |
InChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-22(12-14-24)15-16-27(19-22)21(28)17-23(18-25)9-6-10-23/h3-5,7-8H,6,9-17,19H2,1-2H3
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| InChIKey |
BZYMYXQZRRHYCR-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