General Information of the Compound
| Compound ID |
CP0415522
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| Compound Name |
2,6-ditert-butyl-4-[2-[4-(dimethylamino)oxan-4-yl]-1,3-oxazol-4-yl]phenol
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| Structure |
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| Formula |
C24H36N2O3
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| Molecular Weight |
400.563
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| Canonical SMILES |
CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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| InChIKey |
ITIQMZFXZMFWED-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2