General Information of the Compound
| Compound ID |
CP0524245
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| Compound Name |
US8846730, 63
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| Formula |
C29H38F3N3O5S
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| Molecular Weight |
597.7
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCCC\N=C\OC2CCCCO2)C(F)(F)F)s1
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| InChI |
InChI=1S/C29H38F3N3O5S/c1-28(2,3)24-18-35(17-21-8-6-14-37-21)27(41-24)34-26(36)22-16-20(29(30,31)32)10-11-23(22)38-15-7-12-33-19-40-25-9-4-5-13-39-25/h10-11,16,18-19,21,25H,4-9,12-15,17H2,1-3H3/b33-19+,34-27-/t21-,25?/m1/s1
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| InChIKey |
IMTUOFVITGCQSJ-WGJXSQJOSA-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