General Information of the Compound
| Compound ID |
CP0470366
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| Compound Name |
US8846730, 35
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| Formula |
C29H34F3N3O3S
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| Molecular Weight |
561.67
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| Canonical SMILES |
CN(CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C29H34F3N3O3S/c1-28(2,3)25-19-35(18-22-11-8-15-37-22)27(39-25)33-26(36)23-17-20(29(30,31)32)12-13-24(23)38-16-14-34(4)21-9-6-5-7-10-21/h5-7,9-10,12-13,17,19,22H,8,11,14-16,18H2,1-4H3/b33-27-/t22-/m1/s1
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| InChIKey |
AEOONCOJKKUYDN-ZQLCYMSWSA-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