General Information of the Compound
| Compound ID |
CP0431624
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| Compound Name |
4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine
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| Structure |
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| Formula |
C24H36N2OS
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| Molecular Weight |
400.632
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| Canonical SMILES |
CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(cc(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3
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| InChIKey |
DRQYEPLMFLHJIK-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