General Information of the Compound
| Compound ID |
CP0464058
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| Compound Name |
US8859596, 142
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| Formula |
C25H35F3N4O3
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| Molecular Weight |
496.574
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| Canonical SMILES |
Cn1c(c\c(=N\C(=O)c2cc(ccc2ONC(C)(C)C)C(F)(F)F)n1C[C@H]1CCCO1)C(C)(C)C
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| InChI |
InChI=1S/C25H35F3N4O3/c1-23(2,3)20-14-21(32(31(20)7)15-17-9-8-12-34-17)29-22(33)18-13-16(25(26,27)28)10-11-19(18)35-30-24(4,5)6/h10-11,13-14,17,30H,8-9,12,15H2,1-7H3/b29-21-/t17-/m1/s1
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| InChIKey |
XCRYLYGBCHEYDB-MTEQBEEASA-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