General Information of the Compound
| Compound ID |
CP0429838
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| Compound Name |
US8846730, 78
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| Formula |
C24H32F3N3O3S
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| Molecular Weight |
499.599
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| Canonical SMILES |
CCN(CC)Oc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N3O3S/c1-6-30(7-2)33-19-11-10-16(24(25,26)27)13-18(19)21(31)28-22-29(14-17-9-8-12-32-17)15-20(34-22)23(3,4)5/h10-11,13,15,17H,6-9,12,14H2,1-5H3/b28-22-/t17-/m1/s1
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| InChIKey |
TYHDVIJQDXELDN-LBYPAGOHSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2