General Information of the Compound
| Compound ID |
CP0469634
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| Compound Name |
2-(1'-(4-tert-butylcyclohexyl)-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 |
C25H37N3O3
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| Molecular Weight |
427.589
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| Canonical SMILES |
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)(C)C)c2ccccc12
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| InChI |
InChI=1S/C25H37N3O3/c1-24(2,3)18-9-11-19(12-10-18)27-15-13-25(14-16-27)20-7-5-6-8-21(20)28(23(30)31-25)17-22(29)26-4/h5-8,18-19H,9-17H2,1-4H3,(H,26,29)
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| InChIKey |
QADYXKXNIZNKPA-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