General Information of the Compound
| Compound ID |
CP0415521
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| Compound Name |
4-[2-(4-aminooxan-4-yl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
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| Structure |
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| Formula |
C22H32N2O2S
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| Molecular Weight |
388.577
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(N)CCOCC1
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| InChI |
InChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3
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| InChIKey |
JYLAYFCWPZLYBS-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