General Information of the Compound
| Compound ID |
CP0500259
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| Compound Name |
2-(1'-cycloheptyl-2-oxospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1(2H)-yl)-N-methylacetamide
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| Structure |
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| Formula |
C22H31N3O3
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| Molecular Weight |
385.508
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| Canonical SMILES |
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCCCCC2)c2ccccc12
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| InChI |
InChI=1S/C22H31N3O3/c1-23-20(26)16-25-19-11-7-6-10-18(19)22(28-21(25)27)12-14-24(15-13-22)17-8-4-2-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H,23,26)
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| InChIKey |
VSWRFLHZJLIZDC-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