General Information of the Compound
| Compound ID |
CP0415899
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| Compound Name |
US8895592, 11
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| Formula |
C26H34F3N3O3S
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| Molecular Weight |
525.637
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| Canonical SMILES |
CN1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1CC1(O)CCC1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C26H34F3N3O3S/c1-24(2,3)21-14-32(16-25(34)10-6-11-25)23(36-21)30-22(33)19-13-17(26(27,28)29)8-9-20(19)35-15-18-7-5-12-31(18)4/h8-9,13-14,18,34H,5-7,10-12,15-16H2,1-4H3/b30-23-/t18-/m0/s1
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| InChIKey |
BVGSIPRPKQOJOD-IGDUMRHHSA-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