General Information of the Compound
| Compound ID |
CP0456794
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| Compound Name |
US8846730, 58
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| Formula |
C24H32F3N3O4S
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| Molecular Weight |
515.598
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCCNCCO)C(F)(F)F)s1
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| InChI |
InChI=1S/C24H32F3N3O4S/c1-23(2,3)20-15-30(14-17-5-4-11-33-17)22(35-20)29-21(32)18-13-16(24(25,26)27)6-7-19(18)34-12-9-28-8-10-31/h6-7,13,15,17,28,31H,4-5,8-12,14H2,1-3H3/b29-22-/t17-/m1/s1
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| InChIKey |
JXXAIIICWMYJLO-HIKRULHHSA-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