General Information of the Compound
| Compound ID |
CP0546228
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| Compound Name |
US8846730, 3
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| Formula |
C25H32F3N3O3S
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| Molecular Weight |
511.61
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| Canonical SMILES |
CN1CC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C25H32F3N3O3S/c1-24(2,3)21-14-31(13-18-6-5-11-33-18)23(35-21)29-22(32)19-12-16(25(26,27)28)7-8-20(19)34-15-17-9-10-30(17)4/h7-8,12,14,17-18H,5-6,9-11,13,15H2,1-4H3/b29-23-/t17-,18+/m0/s1
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| InChIKey |
AYTHGYXLJROVNU-WBLQKYSJSA-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