General Information of the Compound
| Compound ID |
CP0431465
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| Compound Name |
US8846730, 31
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| Formula |
C26H34F3N3O3S
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| Molecular Weight |
525.637
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| Canonical SMILES |
CN1CC[C@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1
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| InChI |
InChI=1S/C26H34F3N3O3S/c1-25(2,3)22-15-32(14-19-6-5-11-34-19)24(36-22)30-23(33)20-12-18(26(27,28)29)7-8-21(20)35-16-17-9-10-31(4)13-17/h7-8,12,15,17,19H,5-6,9-11,13-14,16H2,1-4H3/b30-24-/t17-,19+/m0/s1
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| InChIKey |
BYVKTKUNYXDYDU-DQUVTTBFSA-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