General Information of the Compound
| Compound ID |
CP0429629
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| Compound Name |
US8895592, 13
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| Formula |
C24H32F3N3O2S
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| Molecular Weight |
483.6
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| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1O[C@H]1CCN(C)C1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C24H32F3N3O2S/c1-15(2)12-30-14-20(23(3,4)5)33-22(30)28-21(31)18-11-16(24(25,26)27)7-8-19(18)32-17-9-10-29(6)13-17/h7-8,11,14-15,17H,9-10,12-13H2,1-6H3/b28-22-/t17-/m0/s1
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| InChIKey |
ZZCMFVIPUWGVPI-BXLNZEQQSA-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