General Information of the Compound
| Compound ID |
CP0408244
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| Compound Name |
US8846730, 43
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| Formula |
C26H32F3N3O4S
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| Molecular Weight |
539.62
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| Canonical SMILES |
CN1[C@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)CCC1=O
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| InChI |
InChI=1S/C26H32F3N3O4S/c1-25(2,3)21-14-32(13-18-6-5-11-35-18)24(37-21)30-23(34)19-12-16(26(27,28)29)7-9-20(19)36-15-17-8-10-22(33)31(17)4/h7,9,12,14,17-18H,5-6,8,10-11,13,15H2,1-4H3/b30-24-/t17-,18+/m0/s1
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| InChIKey |
IHOFKGNFFHYEBR-FNNFCLMASA-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