General Information of the Compound
| Compound ID |
CP0433639
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| Compound Name |
2,6-ditert-butyl-4-[2-[4-(methylamino)oxan-4-yl]-1,3-thiazol-4-yl]phenol
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| Structure |
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| Formula |
C23H34N2O2S
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| Molecular Weight |
402.604
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| Canonical SMILES |
CNC1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C23H34N2O2S/c1-21(2,3)16-12-15(13-17(19(16)26)22(4,5)6)18-14-28-20(25-18)23(24-7)8-10-27-11-9-23/h12-14,24,26H,8-11H2,1-7H3
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| InChIKey |
WOZSIILXBCCBNM-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