General Information of the Compound
| Compound ID |
CP0539842
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| Compound Name |
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Structure |
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| Formula |
C19H28N2O2
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| Molecular Weight |
316.445
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| Canonical SMILES |
CCN1CC2(CCN(CCc3ccccc3)CC2)O[C@H](C)C1=O
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| InChI |
InChI=1S/C19H28N2O2/c1-3-21-15-19(23-16(2)18(21)22)10-13-20(14-11-19)12-9-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3/t16-/m1/s1
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| InChIKey |
NASMRBRQNLMHLZ-MRXNPFEDSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2