General Information of the Compound
| Compound ID |
CP0408164
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| Compound Name |
US8846730, 71
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| Formula |
C26H34F3N3O4S
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| Molecular Weight |
541.636
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| Canonical SMILES |
CC(C)(C)C(\COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=N/O
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| InChI |
InChI=1S/C26H34F3N3O4S/c1-24(2,3)20(31-34)15-36-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-32(13-17-8-7-11-35-17)14-21(37-23)25(4,5)6/h9-10,12,14,17,34H,7-8,11,13,15H2,1-6H3/b30-23-,31-20-/t17-/m1/s1
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| InChIKey |
VDNKEHOVBKLDIB-ZUAQWUQRSA-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