General Information of the Compound
| Compound ID |
CP0863316
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| Compound Name |
4-[16,17-dimethyl-13-(1,4-oxazinan-4-yl)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-4-yl]-1,4-oxazinane
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
C[C@@H]1[C@H]2c3cc(N4CCOCC4)ccc3C[C@@H](c3ccc(N4CCOCC4)cc32)N1C
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| InChI |
InChI=1S/C26H33N3O2/c1-18-26-23-16-20(28-7-11-30-12-8-28)4-3-19(23)15-25(27(18)2)22-6-5-21(17-24(22)26)29-9-13-31-14-10-29/h3-6,16-18,25-26H,7-15H2,1-2H3/t18-,25+,26+/m1/s1
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| InChIKey |
IMJBBDRLBWLKKB-LROUJFHJSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor